54688734 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 8 8 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 1 1 2 3 3 3 4 4 5 5 6 6 6 8 8 8 9 10 10 11 12 12 13 13 13 14 14 15 15 16 16 17 18 18 19 19 20 21 21 22 9 36 7 5 7 10 17 22 11 12 7 8 9 13 23 24 11 14 15 25 16 17 26 27 28 18 29 19 30 21 31 32 20 33 20 34 35 22 37 38 1 1 2 1 1 1 1 2 2 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 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 5.4641 7.1962 5.4641 2.866 4.5981 6.3301 6.3301 7.1962 5.4641 5.4641 4.5981 3.732 7.1962 4.5981 6.3301 2.866 3.732 4.5981 6.3301 5.4641 2 2 7.4082 7.8067 4.0611 7.8162 7.1962 6.5762 4.0611 6.8671 2.866 4.269 4.0611 6.8671 5.4641 4.9272 1.4631 1.4631 2.845 -0.155 -0.155 -1.655 0.345 1.345 0.345 1.845 1.845 -1.155 1.345 -0.155 2.845 -1.655 -1.655 0.345 -1.155 -2.655 -2.655 -3.155 -0.155 -1.155 1.2624 1.9527 1.655 2.845 3.465 2.845 -1.345 -1.345 0.965 -1.465 -2.965 -2.965 -3.775 3.155 0.155 -1.465 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 6 9 10 10 12 12 14 15 16 18 19 21 5 7 17 22 11 7 9 11 14 15 16 17 18 19 21 20 20 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 489 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 1 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 00000371E07B30000000000000000000000000000000000000003C408000000000000001C000001E00000800000C0CC19A043EC093081200A8023577540082802031222008D8213864D80824F2C0D191843008608400C8D9071000000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethyl-4-hydroxy-1-phenyl-6-(3-pyridyl)pyridin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethyl-4-hydroxy-1-phenyl-6-(3-pyridinyl)-2-pyridinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethyl-4-oxidanyl-1-phenyl-6-pyridin-3-yl-pyridin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethyl-4-hydroxy-1-phenyl-6-(3-pyridyl)-2-pyridone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H16N2O2/c1-2-15-17(21)11-16(13-7-6-10-19-12-13)20(18(15)22)14-8-4-3-5-9-14/h3-12,21H,2H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZICCATFUQUTYCA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.121177757 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H16N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=C(C=C(N(C1=O)C2=CC=CC=C2)C3=CN=CC=C3)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=C(C=C(N(C1=O)C2=CC=CC=C2)C3=CN=CC=C3)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 53.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.121177757 22 0 0 0 0 0 0 0 1 3