63723689 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 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 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 8 9 10 10 11 11 12 12 13 14 15 15 16 16 16 17 18 19 19 9 5 8 9 14 18 19 33 34 6 20 21 7 22 23 8 10 11 14 12 24 13 25 13 26 27 15 17 28 17 18 19 29 30 31 32 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 2 1 1 2 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 4.3211 4.6783 6.2781 9.2136 5.2619 4.6783 3.732 3.732 4.9889 2.866 2.866 2 2 5.9674 6.6353 7.9244 7.6138 7.2566 8.903 5.7227 5.7227 5.2156 4.4272 2.866 2.866 1.4631 1.4631 6.4427 8.0279 7.4492 9.5168 8.9235 9.8203 8.7996 -1.0035 0.6913 -1.4159 -2.0346 1.4961 2.3008 1.9961 0.9961 -0.2592 2.4961 0.4961 1.9961 0.9961 -0.4654 0.2789 -0.8779 0.0727 -1.6222 -1.0841 1.0813 1.9108 2.61 2.8677 3.1161 -0.1239 2.3061 0.6861 0.8682 0.5341 -2.2115 -0.9967 -0.4644 -2.1625 -2.4961 8 8 8 8 8 8 8 8 8 8 8 8 3 3 7 7 8 10 11 12 14 15 16 16 14 18 8 10 11 12 13 13 15 17 17 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 333 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 00000371C07320000000000000000000000000000001600000003C400000000000005801C000001E00100000000C08C19E043CC093481000A8033577540082802037022008D8A1B864D80860F2C0D5B1942108608600C8C9871888800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(aminomethyl)-2-pyridyl]-indolin-1-yl-methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(aminomethyl)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(aminomethyl)pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(aminomethyl)pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(aminomethyl)pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(aminomethyl)-2-pyridyl]-indolin-1-yl-methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H15N3O/c16-9-11-5-6-13(17-10-11)15(19)18-8-7-12-3-1-2-4-14(12)18/h1-6,10H,7-9,16H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OGHNFQNHDVFRHP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.121512110 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H15N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C2=CC=CC=C21)C(=O)C3=NC=C(C=C3)CN SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C2=CC=CC=C21)C(=O)C3=NC=C(C=C3)CN Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 59.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.121512110 19 0 0 0 0 0 0 0 1 -1