62466032 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 39 40 8 8 7 7 7 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 1 1 1 1 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 10 10 11 12 12 13 13 13 14 14 15 16 16 17 17 18 18 18 19 20 10 14 21 6 9 26 9 15 21 39 40 7 22 23 13 24 25 10 11 12 11 27 28 29 15 30 31 32 33 16 17 34 19 35 20 36 19 20 21 37 38 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 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 29 30 31 32 33 34 35 36 37 38 39 40 3.732 2.866 4.5981 2.866 4.5981 4.5981 5.4641 2.866 3.732 2.866 3.732 2 5.4641 3.732 2 2.866 4.5981 3.732 2.866 4.5981 3.732 3.9875 4.386 6.0747 5.6762 5.135 2.654 2.2554 4.269 1.4631 4.8441 5.4641 6.0841 1.4631 2.3291 5.135 2.3291 5.135 4.5981 5.135 0.44 4.94 -3.06 -3.06 4.94 -4.06 -4.56 -1.06 -2.56 -0.06 -1.56 -1.56 -5.56 1.44 -2.56 1.94 1.94 3.44 2.94 2.94 4.44 -3.9523 -4.6426 -4.6677 -3.9774 -2.75 0.5226 -0.1677 -1.25 -1.25 -5.56 -6.18 -5.56 -2.87 1.63 1.63 3.25 3.25 5.56 4.63 8 8 8 8 8 8 8 8 8 8 8 8 4 4 8 8 9 12 14 14 16 17 18 18 9 15 11 12 11 15 16 17 19 20 19 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 317 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C400000000000000001C000001E00100000000C04E19A063FB692C81400A8023377740082882935222009D8A13E6CD88C2672C4BD9B863928ECD013C8E9A7B8DC00CE20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[[2-(propylamino)-4-pyridyl]methoxy]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[[2-(propylamino)-4-pyridinyl]methoxy]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[[2-(propylamino)pyridin-4-yl]methoxy]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[[2-(propylamino)pyridin-4-yl]methoxy]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[[2-(propylamino)pyridin-4-yl]methoxy]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[[2-(propylamino)-4-pyridyl]methoxy]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H19N3O2/c1-2-8-18-15-10-12(7-9-19-15)11-21-14-5-3-13(4-6-14)16(17)20/h3-7,9-10H,2,8,11H2,1H3,(H2,17,20)(H,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GGTRQUOFJRRVBI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 285.147726857 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H19N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 285.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCNC1=NC=CC(=C1)COC2=CC=C(C=C2)C(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCNC1=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 2021.10.14 77.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 285.147726857 21 0 0 0 0 0 0 0 1 -1