6362174 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 7 7 7 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 2 2 2 3 3 4 4 5 5 6 6 6 7 7 10 10 11 11 12 12 13 14 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 8 9 8 14 26 9 15 14 19 15 22 7 8 10 9 11 12 24 13 25 13 27 28 16 18 17 29 20 30 21 31 20 32 33 23 34 23 35 36 2 1 1 1 1 2 1 1 2 1 2 1 1 2 1 2 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 3 -1 15 9 7 1 2 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 5.2619 4.9889 4.9889 6.2781 6.6353 3.732 3.732 4.6783 4.6783 2.866 2.866 2 2 5.9674 5.9674 6.6353 7.6138 6.2781 7.2566 7.9244 7.2566 7.6138 7.9244 2.866 2.866 4.5749 1.4631 1.4631 6.4427 8.0279 5.864 7.4492 8.5311 7.4492 8.0279 8.5311 0 1.7552 -1.7552 2.912 -1.2172 0.5 -0.5 0.8047 -0.8047 1 -1 0.5 -0.5 1.9615 -1.9615 1.2172 1.4234 -2.912 3.1182 2.3739 -3.1182 -1.4234 -2.3739 1.62 -1.62 2.2167 0.81 -0.81 0.6278 0.9619 -3.3735 3.7075 2.5018 -3.7075 -0.9619 -2.5018 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 10 11 12 14 15 16 17 18 19 21 22 14 19 15 22 7 10 11 12 13 13 16 18 17 20 21 20 23 23 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 472 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B80000000000000000000000000000001000000003C588000000000004001F000001C00100000000C00C11A043DB092C81000A0023267640082802931022009D8203864988820E2C09991842008689002C8C8271080800E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-N-(2-pyridyl)-3-(2-pyridylimino)isoindol-1-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-N-(2-pyridinyl)-3-(2-pyridinylimino)-1-isoindolamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3<I>Z</I>)-<I>N</I>-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-N-pyridin-2-yl-3-pyridin-2-ylimino-isoindol-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-pyridyl-[(3Z)-3-(2-pyridylimino)isoindol-1-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H13N5/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-18(14)22-16-10-4-6-12-20-16/h1-12H,(H,19,20,21,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BSMBZDDPUMOQPJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.11709544 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H13N5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=NC2=NC3=CC=CC=N3)NC4=CC=CC=N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C\2C(=C1)C(=N/C2=N\C3=CC=CC=N3)NC4=CC=CC=N4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 62.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.11709544 23 0 0 0 1 1 0 0 1 -1