62184944 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 9 9 10 10 12 13 14 14 16 16 17 17 17 18 19 19 19 20 20 20 8 17 11 6 11 21 15 20 31 15 18 9 10 11 14 16 12 13 12 22 13 23 24 25 15 26 18 27 19 28 29 30 32 33 34 35 36 37 1 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 5.135 3.403 5.135 2.5369 4.269 5.135 4.269 5.135 6.001 4.269 4.269 6.001 4.269 3.403 3.403 5.135 6.001 5.135 6.001 2.5369 5.672 6.538 3.732 6.538 3.732 2.866 5.672 6.2131 6.6116 5.672 2 6.621 6.001 5.381 1.9169 2.5369 3.1569 3.5 -0.5 -0.5 -4 -4 0.5 -2 2.5 1 1 -1 2 2 -2.5 -3.5 -2.5 4 -3.5 5 -5 -0.81 0.69 0.69 2.31 2.31 -2.19 -2.19 3.4174 4.1077 -3.81 -3.69 5 5.62 5 -5 -5.62 -5 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 8 8 9 10 14 16 15 18 9 10 14 16 12 13 12 13 15 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 304 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07330000000000000000000000000000000000000003C400000000000000001C000001E00100000000C0CE19A063FF692C81400A8023777740082882935222009D8A13E6CD88C2672C4B59B863928ECD413C8E9A7B440000A00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-ethoxyphenyl)-2-(methylamino)pyridine-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-ethoxyphenyl)-2-(methylamino)-4-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(4-ethoxyphenyl)-2-(methylamino)pyridine-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-ethoxyphenyl)-2-(methylamino)pyridine-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-ethoxyphenyl)-2-(methylamino)pyridine-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(methylamino)-N-p-phenetyl-isonicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H17N3O2/c1-3-20-13-6-4-12(5-7-13)18-15(19)11-8-9-17-14(10-11)16-2/h4-10H,3H2,1-2H3,(H,16,17)(H,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MJHWUVRPJKLSTN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 271.132076794 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H17N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 271.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)NC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)NC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 63.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 271.132076794 20 0 0 0 0 0 0 0 1 -1