18768024 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 8 7 7 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 2 2 2 3 3 4 4 4 5 5 6 6 7 8 8 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 24 25 9 6 9 27 23 24 5 7 10 8 9 7 11 26 12 13 14 15 16 17 18 28 19 29 23 30 24 31 20 32 21 33 22 34 22 35 25 36 25 37 38 39 40 41 2 1 1 1 2 1 2 1 1 1 1 2 1 1 2 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 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 41 7.1962 5.4641 5.4641 5.4641 6.3301 4.5981 4.5981 7.1962 6.3301 5.4641 3.732 7.1962 8.0622 4.5981 6.3301 3.732 2.866 8.0622 8.9282 2.866 2 8.9282 4.5981 6.3301 2 4.0611 5.4641 6.6592 8.0622 4.0611 6.8671 4.269 2.866 8.0622 9.4651 2.866 1.4631 9.4651 4.0611 6.8671 1.4631 -1.75 -1.75 3.25 0.25 -0.25 -1.25 -0.25 0.25 -1.25 1.25 -1.75 1.25 -0.25 1.75 1.75 -2.75 -1.25 1.75 0.25 -3.25 -1.75 1.25 2.75 2.75 -2.75 0.06 -2.37 1.56 -0.87 1.44 1.44 -3.06 -0.63 2.37 -0.06 -3.87 -1.44 1.56 3.06 3.06 -3.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 5 6 8 8 10 10 11 11 12 13 14 15 16 17 18 19 20 21 6 9 23 24 5 7 9 7 12 13 14 15 16 17 18 19 23 24 20 21 22 22 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 544 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371E07B20000000000000000000000000000000000000003C608100000000000001D000001E00100000000C08C19A043C8092C81000A8023577540082802031022008D8213864D8082072C09591842008608400C8C9071888808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-diphenyl-4-(4-pyridyl)-1H-pyridin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-diphenyl-4-pyridin-4-yl-1H-pyridin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-diphenyl-4-pyridin-4-yl-1<I>H</I>-pyridin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-diphenyl-4-pyridin-4-yl-1H-pyridin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-diphenyl-4-pyridin-4-yl-1H-pyridin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-diphenyl-4-(4-pyridyl)-2-pyridone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H16N2O/c25-22-21(18-9-5-2-6-10-18)19(16-11-13-23-14-12-16)15-20(24-22)17-7-3-1-4-8-17/h1-15H,(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NZNUCLVHWVNYHH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.126263138 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H16N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C3=CC=CC=C3)C4=CC=NC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C3=CC=CC=C3)C4=CC=NC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 42 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.126263138 25 0 0 0 0 0 0 0 1 -1