2.0 2015-09-08 17:49:11 -0600 2015-09-08 17:49:11 -0600 ECMDB24086 M2MDB006203 N1-Methyl-2-pyridone-5-carboxamide C7H8N2O2 152.1506 152.05857751 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide 1-methyl-6-oxopyridine-3-carboxamide CN1C=C(C=CC1=O)C(N)=O InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11) JLQSXXWTCJPCBC-UHFFFAOYSA-N logp -0.96 ALOGPS logs -0.57 ALOGPS solubility 4.14e+01 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 15.93 ChemAxon pka_strongest_basic 1.36 ChemAxon iupac 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide ChemAxon average_mass 152.1506 ChemAxon mono_mass 152.05857751 ChemAxon smiles CN1C=C(C=CC1=O)C(N)=O ChemAxon formula C7H8N2O2 ChemAxon inchi InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11) ChemAxon inchikey JLQSXXWTCJPCBC-UHFFFAOYSA-N ChemAxon polar_surface_area 63.4 ChemAxon refractivity 40.76 ChemAxon polarizability 14.71 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16654 Specdb::CMs 148498 Specdb::NmrOneD 41822 Specdb::NmrOneD 41823 Specdb::NmrOneD 41824 Specdb::NmrOneD 41825 Specdb::NmrOneD 41826 Specdb::NmrOneD 41827 Specdb::NmrOneD 41828 Specdb::NmrOneD 41829 Specdb::NmrOneD 41830 Specdb::NmrOneD 41831 Specdb::NmrOneD 41832 Specdb::NmrOneD 41833 Specdb::NmrOneD 41834 Specdb::NmrOneD 41835 Specdb::NmrOneD 41836 Specdb::NmrOneD 41837 Specdb::NmrOneD 41838 Specdb::NmrOneD 41839 Specdb::NmrOneD 41840 Specdb::NmrOneD 41841 Specdb::MsMs 27173 Specdb::MsMs 27174 Specdb::MsMs 27175 Specdb::MsMs 33731 Specdb::MsMs 33732 Specdb::MsMs 33733 Specdb::MsMs 2236977 Specdb::MsMs 2238490 Specdb::MsMs 2239076 Specdb::MsMs 2240491 Specdb::MsMs 2241230 Specdb::MsMs 2242579 Specdb::MsMs 2243252 Specdb::MsMs 2344274 Specdb::MsMs 2344275 Specdb::MsMs 2344276 Specdb::MsMs 2590594 Specdb::MsMs 2590595 Specdb::MsMs 2590596