62329385 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 38 39 40 8 8 7 7 7 6 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 1 1 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 11 12 13 14 14 14 16 16 16 17 17 18 19 20 21 21 21 6 9 15 8 15 30 18 19 18 21 37 7 22 23 16 24 25 10 11 12 13 12 26 13 27 28 29 15 17 19 31 32 33 20 34 20 35 36 38 39 40 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 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 38 39 40 10.6603 6.3301 7.1962 4.5981 2.866 11.5263 12.3923 8.0622 9.7942 8.9282 8.0622 9.7942 8.9282 5.4641 6.3301 13.2583 4.5981 3.732 5.4641 3.732 2 11.1278 11.9248 12.7908 11.9938 8.9282 7.5252 10.3312 8.9282 7.1962 12.9483 13.7953 13.5683 4.5981 6.001 3.1951 2.866 2.31 1.4631 1.69 2.06 1.56 0.06 -1.44 -1.44 1.56 2.06 0.56 1.56 0.06 1.56 0.56 2.06 0.06 0.56 1.56 0.56 -0.94 -0.94 0.06 -0.94 1.085 1.085 2.5349 2.5349 -0.56 1.87 0.25 2.68 -0.56 1.0231 1.25 2.0969 1.18 -1.25 0.37 -2.06 -0.4031 -0.63 -1.4769 8 8 8 8 8 8 8 8 8 8 8 8 4 4 8 8 9 9 10 11 14 14 17 18 18 19 10 11 12 13 12 13 17 19 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 317 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C400000000000000001C000001E00100000000C0CE19A063FF692C81400A8023777740082882935222009D8A13E6CD88C26FAC4F59B8639A8ECD413C8E9E7B841000C00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(methylamino)-N-(4-propoxyphenyl)pyridine-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(methylamino)-N-(4-propoxyphenyl)-3-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(methylamino)-<I>N</I>-(4-propoxyphenyl)pyridine-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(methylamino)-N-(4-propoxyphenyl)pyridine-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(methylamino)-N-(4-propoxyphenyl)pyridine-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(methylamino)-N-(4-propoxyphenyl)nicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H19N3O2/c1-3-10-21-14-7-5-13(6-8-14)19-16(20)12-4-9-15(17-2)18-11-12/h4-9,11H,3,10H2,1-2H3,(H,17,18)(H,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DQNQTYYGGPZHJD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 285.147726857 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H19N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 285.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCOC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)NC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCOC1=CC=C(C=C1)NC(=O)C2=CN=C(C=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 2021.10.14 285.147726857 21 0 0 0 0 0 0 0 1 -1