69863442 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 6 7 7 8 8 9 9 10 12 14 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 11 13 10 11 30 13 19 33 12 22 7 8 9 10 12 11 13 14 15 29 16 17 31 18 32 21 34 20 35 20 36 23 24 37 25 38 25 39 26 40 27 41 42 28 43 28 44 45 2 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 2 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 5.4641 5.4641 7.1962 4.5981 8.9282 7.1962 8.0622 6.3301 7.1962 8.0622 6.3301 8.9282 5.4641 8.0622 6.3301 9.7942 8.0622 6.3301 3.732 7.1962 10.6603 9.7942 2.866 3.732 10.6603 2 2.866 2 8.5991 7.1962 8.5991 5.7932 4.5981 9.7942 8.5991 5.7932 7.1962 11.1972 9.7942 2.866 4.269 11.1972 1.4631 2.866 1.4631 -2.19 0.81 -2.19 -0.69 0.81 -0.19 -0.69 -0.69 0.81 -1.69 -1.69 -0.19 -0.19 1.31 1.31 -0.69 2.31 2.31 -0.19 2.81 -0.19 1.31 -0.69 0.81 0.81 -0.19 1.31 0.81 -2 -2.81 1 1 -1.31 -1.31 2.62 2.62 3.43 -0.5 1.93 -1.31 1.12 1.12 -0.5 1.93 1.12 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 8 9 9 12 14 15 16 17 18 19 19 21 22 23 24 26 27 10 11 12 22 7 8 10 11 14 15 16 17 18 21 20 20 23 24 25 25 26 27 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 655 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 2 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 00000371E07B30000000000000000000000000000000000000003C608100000000000001D000001E00100000000C08C19E043CC092C81000A8033577540082802031022008D8A13864D80820EAC8D191842008609600C8C9071080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-oxo-N,4-diphenyl-5-(2-pyridyl)-1H-pyridine-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-oxo-N,4-diphenyl-5-(2-pyridinyl)-1H-pyridine-3-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-oxo-<I>N</I>,4-diphenyl-5-pyridin-2-yl-1<I>H</I>-pyridine-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-oxo-N,4-diphenyl-5-pyridin-2-yl-1H-pyridine-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-oxidanylidene-N,4-diphenyl-5-pyridin-2-yl-1H-pyridine-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-keto-N,4-diphenyl-5-(2-pyridyl)-1H-pyridine-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H17N3O2/c27-22-21(23(28)26-17-11-5-2-6-12-17)20(16-9-3-1-4-10-16)18(15-25-22)19-13-7-8-14-24-19/h1-15H,(H,25,27)(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QWQDIKWSJCLBST-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 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)C2=C(C(=O)NC=C2C3=CC=CC=N3)C(=O)NC4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C2=C(C(=O)NC=C2C3=CC=CC=N3)C(=O)NC4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 71.1 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