58709127 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 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 5 5 6 6 6 7 7 8 9 9 10 10 11 11 11 12 12 13 14 16 17 18 18 19 19 20 21 21 22 22 23 23 24 24 25 25 26 27 27 28 28 29 7 14 13 15 9 14 17 29 8 10 13 8 12 30 15 18 16 31 15 21 22 16 32 17 19 33 23 20 34 20 35 36 24 37 25 38 27 39 26 40 26 41 42 28 43 29 44 45 1 1 2 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 2 2 1 1 1 1 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 8.0622 11.5263 4.5981 6.3301 13.2583 10.6603 8.9282 9.7942 5.4641 10.6603 3.732 8.9282 11.5263 7.1962 4.5981 9.7942 12.3923 5.4641 7.1962 6.3301 2.866 3.732 12.3923 2 2.866 2 13.2583 14.1244 14.1244 9.7942 11.1972 8.3913 9.7942 4.9272 7.7331 6.3301 2.866 4.269 11.8554 1.4631 2.866 1.4631 13.2583 14.6613 14.6613 -0.5 -1.5 -1.5 -0.5 -0.5 -0 0 -0.5 0 1 0 1 -0.5 0 -0.5 1.5 -0 1 1 1.5 -0.5 1 1 0 1.5 1 1.5 1 -0 -1.12 1.31 1.31 2.12 1.31 1.31 2.12 -1.12 1.31 1.31 -0.31 2.12 1.31 2.12 1.31 -0.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 7 9 10 11 11 12 14 17 18 19 21 22 23 24 25 27 28 9 14 17 29 8 10 8 12 18 16 21 22 16 19 23 20 20 24 25 27 26 26 28 29 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 560 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003C788100000000000001F400001E00000000000C0CC19E043C8692081400A803B477440082882037222008D821BE6CD80C26F2C4B5BB8E3928E4C011C8E9879AD8F38E00000100000000000000020000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-[6-[3-(pyridine-2-carbonyl)phenoxy]-2-pyridyl]methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [6-[3-[oxo(2-pyridinyl)methyl]phenoxy]-2-pyridinyl]-phenylmethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-[6-[3-(pyridine-2-carbonyl)phenoxy]pyridin-2-yl]methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-[6-[3-(pyridine-2-carbonyl)phenoxy]pyridin-2-yl]methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-[6-(3-pyridin-2-ylcarbonylphenoxy)pyridin-2-yl]methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 phenyl-[6-(3-picolinoylphenoxy)-2-pyridyl]methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H16N2O3/c27-23(17-8-2-1-3-9-17)21-13-7-14-22(26-21)29-19-11-6-10-18(16-19)24(28)20-12-4-5-15-25-20/h1-16H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LYROGNDOKHHMCR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.11609238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H16N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(=O)C2=NC(=CC=C2)OC3=CC=CC(=C3)C(=O)C4=CC=CC=N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(=O)C2=NC(=CC=C2)OC3=CC=CC(=C3)C(=O)C4=CC=CC=N4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 69.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.11609238 29 0 0 0 0 0 0 0 1 -1