70244330 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 7 7 7 6 6 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 2 2 2 3 3 4 4 4 5 5 5 6 6 7 8 8 9 9 10 10 12 13 13 14 14 15 16 16 17 18 18 19 19 20 20 21 21 22 11 11 14 27 7 17 12 35 36 6 7 10 8 9 11 12 23 13 24 16 25 15 15 26 18 19 28 17 29 30 20 31 21 32 22 33 22 34 37 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 1 1 2 1 1 1 1 1 1 1 2 1 2 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 4.5981 5.4641 3.732 4.5981 2.866 2.866 3.732 3.732 2 2 4.5981 3.732 2 6.3301 2.866 2 2.866 7.1962 6.3301 8.0622 7.1962 8.0622 4.269 1.4631 1.4631 1.4631 5.4641 2.866 1.4631 2.866 7.1962 5.7932 8.5991 7.1962 4.5981 5.135 8.5991 0.19 -1.31 -2.31 2.19 -0.81 0.19 -1.31 0.69 0.69 -1.31 -0.81 1.69 1.69 -0.81 2.19 -2.31 -2.81 -1.31 0.19 -0.81 0.69 0.19 0.38 0.38 -1 2 -1.93 2.81 -2.62 -3.43 -1.93 0.5 -1.12 1.31 2.81 1.88 0.5 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 6 6 8 9 10 12 13 14 14 16 18 19 20 21 7 17 7 10 8 9 12 13 16 15 15 18 19 17 20 21 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 367 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B20000000000000000000000000000000000000003C608000000000000001D000001E00100000000C08C19E043CC092C81000A8033577540082802037022008D821B864D80860F2C095B1942108609400C8C9071888C08E80000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(3-aminophenyl)-N-phenyl-pyridine-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(3-aminophenyl)-N-phenyl-2-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(3-aminophenyl)-<I>N</I>-phenylpyridine-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(3-aminophenyl)-N-phenylpyridine-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(3-aminophenyl)-N-phenyl-pyridine-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(3-aminophenyl)-N-phenyl-picolinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H15N3O/c19-14-7-4-6-13(12-14)16-10-5-11-20-17(16)18(22)21-15-8-2-1-3-9-15/h1-12H,19H2,(H,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WKSWGJUYTVURFA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 289.121512110 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H15N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 289.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)C2=C(C=CC=N2)C3=CC(=CC=C3)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)C2=C(C=CC=N2)C3=CC(=CC=C3)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 68 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 289.121512110 22 0 0 0 0 0 0 0 1 -1