62466033 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 8 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 1 1 1 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 10 10 11 11 12 12 12 13 14 14 15 15 16 16 16 17 18 19 19 19 7 11 20 9 12 25 9 13 20 36 37 7 8 10 21 22 9 23 13 24 14 15 19 26 27 30 17 28 18 29 17 18 20 31 32 33 34 35 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 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 35 36 37 3.732 2.866 4.5981 2.866 4.5981 2.866 2.866 3.732 3.732 2 3.732 4.5981 2 2.866 4.5981 3.732 2.866 4.5981 5.4641 3.732 2.654 2.2554 4.269 1.4631 5.135 3.9875 4.386 2.3291 5.135 1.4631 2.3291 5.135 5.1541 6.001 5.7741 4.5981 5.135 -0.06 4.44 -3.56 -3.56 4.44 -1.56 -0.56 -2.06 -3.06 -2.06 0.94 -4.56 -3.06 1.44 1.44 2.94 2.44 2.44 -5.06 3.94 0.0226 -0.6677 -1.75 -1.75 -3.25 -4.4523 -5.1426 1.13 1.13 -3.37 2.75 2.75 -5.5969 -5.37 -4.5231 5.06 4.13 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 8 10 11 11 14 15 16 16 9 13 8 10 9 13 14 15 17 18 17 18 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 304 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07330000000000000000000000000000000000000003C400000000000000001C000001E00100000000C04E19A063FB692C81400A8023377740082882935222009D8A13E6CD88C2672C4BD9B863928ECD013C8E9A7B8DC00CE20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[2-(ethylamino)-4-pyridyl]methoxy]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[2-(ethylamino)pyridin-4-yl]methoxy]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[2-(ethylamino)pyridin-4-yl]methoxy]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[2-(ethylamino)pyridin-4-yl]methoxy]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[2-(ethylamino)-4-pyridyl]methoxy]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H17N3O2/c1-2-17-14-9-11(7-8-18-14)10-20-13-5-3-12(4-6-13)15(16)19/h3-9H,2,10H2,1H3,(H2,16,19)(H,17,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IWVBKCDOJWTAPO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 271.132076794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 271.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCNC1=NC=CC(=C1)COC2=CC=C(C=C2)C(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCNC1=NC=CC(=C1)COC2=CC=C(C=C2)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 77.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 271.132076794 20 0 0 0 0 0 0 0 1 -1