2.0 2015-09-08 17:48:45 -0600 2015-09-08 17:48:45 -0600 ECMDB24052 M2MDB006169 1-Methylnicotinamide C7H9N2O 137.1592 137.07148792 3-carbamoyl-1-methylpyridin-1-ium 1-methylnicotinamide 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 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 Specdb::CMs 3144 Specdb::CMs 150328 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 Specdb::NmrTwoD 1431