62871743 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 4 5 5 6 6 7 7 8 8 9 9 10 10 10 11 13 14 14 14 16 16 17 17 18 19 19 19 20 20 20 11 20 12 6 12 21 15 19 29 15 18 7 9 8 14 11 22 13 23 12 15 16 13 24 25 26 27 17 28 18 30 31 32 33 34 35 36 37 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 2 1 1 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 3.732 5.4641 3.732 2.866 3.732 3.732 2.866 2.866 4.5981 4.5981 3.732 4.5981 4.5981 2 3.732 5.4641 5.4641 4.5981 2 4.5981 3.1951 2.3291 5.135 5.135 2.31 1.4631 1.69 6.001 2.866 6.001 4.5981 2.31 1.4631 1.69 4.2881 5.135 4.9081 -3.5 0.5 0.5 2 3.5 -0.5 -1 -2 -1 2 -2.5 1 -2 -0.5 2.5 2.5 3.5 4 2.5 -4 0.81 -2.31 -0.69 -2.31 0.0369 -0.19 -1.0369 2.19 1.38 3.81 4.62 3.0369 2.81 1.9631 -4.5369 -4.31 -3.4631 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 8 9 10 10 11 16 17 15 18 7 9 8 11 13 15 16 13 17 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 324 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07330000000000000000000000000000000000000003C400000000000000001C000001E00100000000C0CC19A063FF692C81400A8023777740082882935222009D8A13E6CD88C26FAC4F59B8431A86CD413C8E9E7B8C1100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methoxy-2-methyl-phenyl)-2-(methylamino)pyridine-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methoxy-2-methylphenyl)-2-(methylamino)-3-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-methoxy-2-methylphenyl)-2-(methylamino)pyridine-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methoxy-2-methylphenyl)-2-(methylamino)pyridine-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methoxy-2-methyl-phenyl)-2-(methylamino)pyridine-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methoxy-2-methyl-phenyl)-2-(methylamino)nicotinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H17N3O2/c1-10-9-11(20-3)6-7-13(10)18-15(19)12-5-4-8-17-14(12)16-2/h4-9H,1-3H3,(H,16,17)(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DTWCNCBFRFENIG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 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 2019.06.18 C15H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 271.31 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=CC(=C1)OC)NC(=O)C2=C(N=CC=C2)NC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=CC(=C1)OC)NC(=O)C2=C(N=CC=C2)NC 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 2021.05.07 271.132076794 20 0 0 0 0 0 0 0 1 -1