62871554 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 8 8 7 7 7 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 2 3 3 3 4 4 5 5 5 6 6 7 7 8 8 9 9 10 11 12 12 12 13 14 14 15 15 16 16 18 19 19 19 10 19 13 6 13 22 17 18 17 33 34 7 9 8 12 10 20 11 21 11 23 24 25 26 14 15 16 17 27 18 28 29 30 31 32 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 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 3.732 5.4641 3.732 4.5981 2.866 3.732 2.866 2.866 4.5981 3.732 4.5981 2 4.5981 4.5981 3.732 5.4641 3.732 5.4641 4.5981 2.3291 5.135 3.1951 5.135 2.31 1.4631 1.69 3.1951 6.001 6.001 4.2881 5.135 4.9081 2.866 2.3291 -3.81 0.19 0.19 3.69 3.69 -0.81 -1.31 -2.31 -1.31 -2.81 -2.31 -0.81 0.69 1.69 2.19 2.19 3.19 3.19 -4.31 -2.62 -1 0.5 -2.62 -0.2731 -0.5 -1.3469 1.88 1.88 3.5 -4.8469 -4.62 -3.7731 4.31 3.38 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 8 9 10 14 14 15 16 17 18 7 9 8 10 11 11 15 16 17 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 311 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07330000000000000000000000000000000000000003C400000000000000001C000001E00100000000C0CC19A063FF692C81400A8023777740082882935222008D8213E6CD88C2672C4B59B84312864D413C8E9A7B4C0100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-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-amino-N-(4-methoxy-2-methylphenyl)-4-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-<I>N</I>-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-azanyl-N-(4-methoxy-2-methyl-phenyl)pyridine-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-N-(4-methoxy-2-methyl-phenyl)isonicotinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H15N3O2/c1-9-7-11(19-2)3-4-12(9)17-14(18)10-5-6-16-13(15)8-10/h3-8H,1-2H3,(H2,15,16)(H,17,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UZPXRFIFCJHMDC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 257.116426730 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H15N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 257.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=CC(=C1)OC)NC(=O)C2=CC(=NC=C2)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=CC(=C1)OC)NC(=O)C2=CC(=NC=C2)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 77.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 257.116426730 19 0 0 0 0 0 0 0 1 -1