69863440 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 41 42 43 44 45 8 8 7 7 7 6 6 6 6 6 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 1 1 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 10 11 12 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 23 24 24 25 26 26 27 27 28 13 14 6 14 15 13 19 33 12 24 9 10 9 11 12 10 11 13 29 30 31 16 17 18 32 21 34 20 35 20 36 22 23 37 25 38 26 39 27 40 25 41 42 28 43 28 44 45 2 2 1 1 1 1 1 1 1 2 2 1 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 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 38 39 40 41 42 43 44 45 3.732 8.0622 6.3301 4.5981 8.9282 6.3301 7.1962 5.4641 7.1962 5.4641 6.3301 8.0622 4.5981 7.1962 5.4641 8.0622 7.1962 5.4641 3.732 6.3301 8.9282 3.732 2.866 9.7942 9.7942 2.866 2 2 7.7331 4.9272 6.3301 4.9272 5.135 7.5252 7.7331 4.9272 6.3301 8.9282 4.269 2.866 10.3312 10.3312 2.866 1.4631 1.4631 -0.5 2 2 -2 -0.5 1 -0.5 -0.5 0.5 0.5 -1 -1 -1 2.5 2.5 -2 3.5 3.5 -2.5 4 -2.5 -3.5 -2 -1 -2 -4 -2.5 -3.5 0.81 0.81 -1.62 2.19 -2.31 -2.31 3.81 3.81 4.62 -3.12 -3.81 -1.38 -0.69 -2.31 -4.62 -2.19 -3.81 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 6 6 7 7 8 8 12 14 15 16 17 18 19 19 21 22 23 24 26 27 14 15 12 24 9 10 9 11 10 11 16 17 18 21 20 20 22 23 25 26 27 25 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 623 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003C608100000000000001D000001E00100000000C08C19E043CC093C81000A8033577540082802035022008D8213864D80820F2C09591842108609600C8C9871C89C09E00000240000000000000048000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-oxo-1-pyridyl)-N-phenyl-5-(2-pyridyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-oxo-1-pyridinyl)-N-phenyl-5-(2-pyridinyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-oxopyridin-1-yl)-<I>N</I>-phenyl-5-pyridin-2-ylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-oxopyridin-1-yl)-N-phenyl-5-pyridin-2-ylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-oxidanylidenepyridin-1-yl)-N-phenyl-5-pyridin-2-yl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-keto-1-pyridyl)-N-phenyl-5-(2-pyridyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H17N3O2/c27-22-11-5-7-13-26(22)20-15-17(21-10-4-6-12-24-21)14-18(16-20)23(28)25-19-8-2-1-3-9-19/h1-16H,(H,25,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XYFJQJILRFINPY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.132076794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)C3=CC=CC=N3)N4C=CC=CC4=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)C3=CC=CC=N3)N4C=CC=CC4=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 62.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.132076794 28 0 0 0 0 0 0 0 1 -1