9615909 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 8 8 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 1 1 2 3 3 3 4 5 5 6 6 6 7 7 8 8 8 9 10 10 12 12 13 13 14 14 15 17 17 18 19 19 19 20 20 21 21 22 22 23 11 31 16 4 16 30 17 18 23 7 9 12 10 13 9 11 16 24 11 25 14 26 15 27 15 28 29 18 19 20 32 33 34 21 35 22 36 23 37 38 1 1 2 1 1 1 2 1 2 1 1 2 1 2 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 4 -1 3 17 18 19 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 5.4641 4.5981 5.4641 4.5981 2.866 8.0622 8.0622 6.3301 7.1962 7.1962 6.3301 8.9561 8.9561 9.8622 9.8622 5.4641 4.5981 3.732 5.4641 3.732 2.866 2 2 7.1962 7.1962 8.949 8.949 10.3979 10.3979 6.001 5.4641 5.1541 6.001 5.7741 4.269 2.866 1.4631 1.4631 2.94 1.44 -0.06 -0.56 -1.56 1.44 2.44 1.44 0.94 2.94 2.44 0.9053 2.9747 1.4192 2.4608 0.94 -1.56 -2.06 -2.06 -3.06 -3.56 -3.06 -2.06 0.32 3.56 0.2854 3.5946 1.1071 2.7729 -0.37 3.56 -2.5969 -2.37 -1.5231 -3.37 -4.18 -3.37 -1.75 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 6 7 7 8 8 10 12 13 14 18 20 21 22 18 23 7 9 12 10 13 9 11 11 14 15 15 20 21 22 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 452 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B30000000000000000000000000000000000000003C6080000000000000C1D400001E00180800000C0CC19E043E86D26A1200A803357754009280203522201AD8213E6CD80826F6C2959384714866E811C8D98798C8F08EE000030000180000C000060000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-hydroxy-N-[(E)-1-(2-pyridyl)ethylideneamino]naphthalene-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-hydroxy-N-[(E)-1-(2-pyridinyl)ethylideneamino]-2-naphthalenecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-hydroxy-<I>N</I>-[(<I>E</I>)-1-pyridin-2-ylethylideneamino]naphthalene-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-hydroxy-N-[(E)-1-pyridin-2-ylethylideneamino]naphthalene-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-oxidanyl-N-[(E)-1-pyridin-2-ylethylideneamino]naphthalene-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-hydroxy-N-[(E)-1-(2-pyridyl)ethylideneamino]-2-naphthamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H15N3O2/c1-12(16-8-4-5-9-19-16)20-21-18(23)15-10-13-6-2-3-7-14(13)11-17(15)22/h2-11,22H,1H3,(H,21,23)/b20-12+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZOXYYSWRPSXYFE-UDWIEESQSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 305.116426730 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H15N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 305.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)C3=CC=CC=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C/C(=N\NC(=O)C1=CC2=CC=CC=C2C=C1O)/C3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 74.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 305.116426730 23 0 0 0 1 1 0 0 1 9