63759631 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 8 8 7 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 1 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 10 11 11 12 12 13 14 15 15 16 16 16 17 17 18 18 18 19 19 21 9 16 20 8 14 27 11 30 31 14 21 20 38 39 9 10 11 10 12 13 22 23 24 13 25 26 15 17 20 18 28 29 19 32 33 34 35 21 36 37 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 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 38 39 5.135 4.269 5.135 2.5369 6.8671 5.135 4.269 5.135 5.135 4.269 3.403 6.001 6.001 6.001 6.001 6.001 6.8671 6.001 7.7331 5.135 7.7331 3.732 3.0044 3.8015 6.538 6.538 4.5981 6.6116 6.2131 2 2.5369 6.8671 5.381 6.001 6.621 8.27 8.27 5.672 4.5981 -2.905 2.595 1.095 -1.405 1.095 4.095 -1.405 0.095 -1.905 -0.405 -1.905 -0.405 -1.405 1.595 2.595 -3.405 3.095 -4.405 2.595 3.095 1.595 -0.095 -2.38 -2.38 -0.095 -1.715 1.405 -3.5127 -2.8224 -1.715 -0.785 3.715 -4.405 -5.025 -4.405 2.905 1.285 4.405 4.405 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 8 8 9 12 14 15 17 19 14 21 9 10 10 12 13 13 15 17 19 21 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 340 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E073B0000000000000000000000000000000000000003C400000000000000001C000001E00100000000C0CE19A063FF692C81400A8023777740082882935222009D8A13E6CD88C26FAC4FD9B8639A8EED013C8E9E7B8C1200E00400040000800000080008000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(aminomethyl)-4-ethoxy-anilino]pyridine-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(aminomethyl)-4-ethoxyanilino]-3-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(aminomethyl)-4-ethoxyanilino]pyridine-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(aminomethyl)-4-ethoxyanilino]pyridine-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[3-(aminomethyl)-4-ethoxy-phenyl]amino]pyridine-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(aminomethyl)-4-ethoxy-anilino]nicotinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H18N4O2/c1-2-21-13-6-5-11(8-10(13)9-16)19-15-12(14(17)20)4-3-7-18-15/h3-8H,2,9,16H2,1H3,(H2,17,20)(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JBWHGBOZVPFNEO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.14297583 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H18N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.33 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=C(C=C(C=C1)NC2=C(C=CC=N2)C(=O)N)CN SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=C(C=C(C=C1)NC2=C(C=CC=N2)C(=O)N)CN Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 103 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.14297583 21 0 0 0 0 0 0 0 1 -1