748350 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 8 8 7 7 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 2 3 3 3 4 4 5 5 5 6 7 7 8 9 9 10 10 12 12 13 14 15 15 16 16 17 17 18 6 7 11 11 14 24 14 18 6 8 9 10 8 11 19 12 20 13 21 13 22 23 15 16 25 17 26 18 27 28 1 1 2 1 1 1 1 2 1 1 2 2 2 1 1 1 1 1 1 2 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 4.6783 6.7619 6.7619 8.2619 3.732 3.732 5.2619 4.6783 2.866 2.866 6.2619 2 2 7.7619 8.2619 9.2619 9.7619 9.2619 4.8709 2.866 2.866 1.4631 1.4631 6.4519 7.9519 9.5719 10.3819 9.5719 -0.4387 1.232 -0.5 0.366 0.866 -0.134 0.366 1.1708 1.366 -0.634 0.366 0.866 -0.134 -0.5 -1.366 -1.366 -0.5 0.366 1.7601 1.986 -1.254 1.176 -0.444 -1.0369 -1.903 -1.903 -0.5 0.903 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 5 5 5 6 7 9 10 12 14 15 16 17 6 7 14 18 6 8 9 10 8 12 13 13 15 16 17 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 308 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07330000000000000000000000000000001200000003C400000000000004801FC00001E00100000000C04C19A043DB6D2C81440A802B377740282882935222009D821FE6CD88E26F2C4BDBF873928ECD513D8E9A798DFA2EE00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-pyridyl)benzofuran-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-pyridinyl)-2-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-pyridin-2-yl-1-benzofuran-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-pyridin-2-yl-1-benzofuran-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-pyridin-2-yl-1-benzofuran-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-pyridyl)coumarilamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H10N2O2/c17-14(16-13-7-3-4-8-15-13)12-9-10-5-1-2-6-11(10)18-12/h1-9H,(H,15,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DUCXQFAHDINGEV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.074227566 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H10N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=CC=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 55.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.074227566 18 0 0 0 0 0 0 0 1 -1