62872655 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 4 5 5 6 6 7 7 8 8 8 9 9 10 10 12 13 14 15 15 15 16 17 17 17 18 18 19 20 20 20 21 21 21 12 21 11 6 11 22 14 17 32 14 19 7 10 9 15 11 16 18 12 23 13 24 13 25 16 27 28 29 26 20 30 31 19 33 34 35 36 37 38 39 40 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 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 40 3.732 5.4641 3.732 2.866 4.5981 3.732 2.866 4.5981 2.866 4.5981 4.5981 3.732 4.5981 3.732 2 3.732 2.866 5.4641 5.4641 2 4.5981 3.1951 2.3291 5.135 5.135 3.1951 2.31 1.4631 1.69 3.4766 3.0781 2.3291 6.001 6.001 2.31 1.4631 1.69 4.2881 5.135 4.9081 -4.25 -0.25 -0.25 3.25 3.25 -1.25 -1.75 1.25 -2.75 -1.75 0.25 -3.25 -2.75 2.75 -1.25 1.75 4.25 1.75 2.75 4.75 -4.75 0.06 -3.06 -1.44 -3.06 1.44 -0.7131 -0.94 -1.7869 4.1423 4.8326 2.94 1.44 3.06 5.2869 5.06 4.2131 -5.2869 -5.06 -4.2131 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 8 8 9 10 12 14 18 14 19 7 10 9 16 18 12 13 13 16 19 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 338 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C400000000000000001C000001E00100000000C0CC19A063FF692C81400A8023777740082882935222009D8A13E6CD88C2672C4BD9B8431286CD413C8E9A7B4C0100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(ethylamino)-N-(4-methoxy-2-methyl-phenyl)pyridine-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(ethylamino)-N-(4-methoxy-2-methylphenyl)-4-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(ethylamino)-<I>N</I>-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(ethylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(ethylamino)-N-(4-methoxy-2-methyl-phenyl)pyridine-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(ethylamino)-N-(4-methoxy-2-methyl-phenyl)isonicotinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H19N3O2/c1-4-17-15-10-12(7-8-18-15)16(20)19-14-6-5-13(21-3)9-11(14)2/h5-10H,4H2,1-3H3,(H,17,18)(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GLYCXNQGSJUCHR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 285.147726857 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H19N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 285.34 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC1=NC=CC(=C1)C(=O)NC2=C(C=C(C=C2)OC)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC1=NC=CC(=C1)C(=O)NC2=C(C=C(C=C2)OC)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 63.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 285.147726857 21 0 0 0 0 0 0 0 1 -1