67001405 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 7 7 7 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 2 2 2 3 3 4 5 5 5 6 6 6 7 8 9 9 11 12 12 13 13 14 14 15 16 16 17 17 18 10 7 10 21 11 15 19 8 9 10 7 8 11 12 20 13 14 19 15 22 16 23 17 24 25 18 26 18 27 28 2 1 1 1 2 1 3 2 1 1 2 1 1 1 1 2 1 1 2 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 3.732 5.4641 8.1301 7.2009 4.5981 6.3301 6.3301 5.4641 3.732 4.5981 7.2241 7.2241 3.732 2.866 8.1301 2.866 2 2 7.2125 5.4641 5.4641 7.2169 4.269 2.866 8.6659 2.866 1.4631 1.4631 1.7073 1.7073 0.1864 -2.3273 0.2073 0.2073 1.2073 -0.2927 -0.2927 1.2073 -0.3274 1.7419 -1.2927 0.2073 1.2281 -1.7927 -0.2927 -1.2927 -1.3273 -0.9127 2.3273 2.3619 -1.6027 0.8273 1.5401 -2.4127 0.0173 -1.6027 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 6 6 6 7 9 9 12 13 14 16 17 7 10 11 15 8 10 7 8 11 12 13 14 15 16 17 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 442 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07320000000000000000000000000000000000000003C408000000000000081C000001E00100000000C08C19E043CC092C81000B80735775400A2802031022008D8213864D808A072C0D5D1842408609400C8C98F1888808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-3-phenyl-1H-1,6-naphthyridine-5-carbonitrile IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-3-phenyl-1H-1,6-naphthyridine-5-carbonitrile IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-3-phenyl-1<I>H</I>-1,6-naphthyridine-5-carbonitrile IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-3-phenyl-1H-1,6-naphthyridine-5-carbonitrile IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxidanylidene-3-phenyl-1H-1,6-naphthyridine-5-carbonitrile IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-keto-3-phenyl-1H-1,6-naphthyridine-5-carbonitrile InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H9N3O/c16-9-14-12-8-11(10-4-2-1-3-5-10)15(19)18-13(12)6-7-17-14/h1-8H,(H,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GSXVPHXNFRTGND-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 247.074561919 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H9N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 247.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC3=C(C=CN=C3C#N)NC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC3=C(C=CN=C3C#N)NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 65.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 247.074561919 19 0 0 0 0 0 0 0 1 -1