1.0 2011-09-21 00:09:49 UTC 2015-10-09 22:27:47 UTC FDB022188 1-Methylnicotinamide 1-Methylnicotinamide is a metabolite of nicotinamide and is produced primarily in the liver. It has anti-inflammatory properties (PMID 16197374). It is a product of nicotinamide N-methyltransferase [EC 2.1.1.1] in the pathway of nicotinate and nicotinamide metabolism (KEGG). 1-Methylnicotinamide may be an endogenous activator of prostacyclin production and thus may regulate thrombotic as well as inflammatory processes in the cardiovascular system (PMID: 17641676). [HMDB] 1-Methyl-3-carbamoylpyridinium 1-Methyl-3-carbamoylpyridinium cation 1-Methylnicotinamide 1-Methylnicotinamide cation 3-Amido-N-methylpyridinium: 1-methyl-3-Pyridinecarboxamide 3-carbamoyl-1-methyl-Pyridinium I-methyl nicotinamide N-1-methylnicotinamide N-Methyl-3-carbamidopyridinium N-Methyl-3-carbamoylpyridinium ion N'-methylnicotinamide N'methylnicotinamide N1-Methylnicotinamide Trigonellinamide C7H9N2O 137.1592 137.07148792 3-carbamoyl-1-methylpyridin-1-ium 1-methylnicotinamide 3106-60-3 C[N+]1=CC=CC(=C1)C(N)=O InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1 LDHMAVIPBRSVRG-UHFFFAOYSA-O belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group. Nicotinamides Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives N-methylpyridinium compounds Organic cations Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Primary carboxylic acid amides Pyridinium derivatives Vinylogous amides Aromatic heteromonocyclic compound Azacycle Carboxamide group Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative N-methylpyridinium Nicotinamide Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary carboxylic acid amide Pyridinium Vinylogous amide a small molecule pyridinium ion Solid logp -3.72 ALOGPS logs -2.38 ALOGPS solubility 7.25e-01 g/l ALOGPS logp -4.3 ChemAxon pka_strongest_acidic 12.24 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac 3-carbamoyl-1-methylpyridin-1-ium ChemAxon average_mass 137.1592 ChemAxon mono_mass 137.07148792 ChemAxon smiles C[N+]1=CC=CC(=C1)C(N)=O ChemAxon formula C7H9N2O ChemAxon inchi InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1 ChemAxon inchikey LDHMAVIPBRSVRG-UHFFFAOYSA-O ChemAxon polar_surface_area 46.97 ChemAxon refractivity 39.13 ChemAxon polarizability 14.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon Nicotinate and Nicotinamide Metabolism SMP00048 map00760 Specdb::CMs 3144 Specdb::CMs 150328 Specdb::NmrTwoD 1431 Specdb::NmrOneD 1256 Specdb::NmrOneD 1485 Specdb::NmrOneD 4853 Specdb::NmrOneD 4854 Specdb::NmrOneD 144930 Specdb::NmrOneD 144931 Specdb::NmrOneD 144932 Specdb::NmrOneD 144933 Specdb::NmrOneD 144934 Specdb::NmrOneD 144935 Specdb::NmrOneD 144936 Specdb::NmrOneD 144937 Specdb::NmrOneD 144938 Specdb::NmrOneD 144939 Specdb::NmrOneD 144940 Specdb::NmrOneD 144941 Specdb::NmrOneD 144942 Specdb::NmrOneD 144943 Specdb::NmrOneD 144944 Specdb::NmrOneD 144945 Specdb::NmrOneD 144946 Specdb::NmrOneD 144947 Specdb::NmrOneD 144948 Specdb::NmrOneD 144949 Specdb::NmrOneD 166483 Specdb::MsMs 972 Specdb::MsMs 973 Specdb::MsMs 974 Specdb::MsMs 4464 Specdb::MsMs 4465 Specdb::MsMs 4466 Specdb::MsMs 4467 Specdb::MsMs 4468 Specdb::MsMs 4469 Specdb::MsMs 4470 Specdb::MsMs 179574 Specdb::MsMs 179575 Specdb::MsMs 179576 Specdb::MsMs 181905 Specdb::MsMs 181906 Specdb::MsMs 181907 Specdb::MsMs 446545 Specdb::MsMs 446546 Specdb::MsMs 446547 Specdb::MsMs 446548 Specdb::MsMs 446549 Specdb::MsMs 448190 Specdb::MsMs 448191 Specdb::MsMs 451924 Specdb::MsMs 2262811 HMDB00699 16797 #<Reference:0x000055ce326628c0> #<Reference:0x000055ce326626e0> #<Reference:0x000055ce32662438> #<Reference:0x000055ce32662230> #<Reference:0x000055ce32662000> #<Reference:0x000055ce32661d30> #<Reference:0x000055ce32661b00> #<Reference:0x000055ce326618f8> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823