N-[3-(4-methoxyphenyl)propyl]-6-(6-methoxypyridin-3-yl)pyridine-3-carboxamide

• ChemBase ID: 649924
• Molecular Formular: C22H23N3O3
• Molecular Mass: 377.43632
• Monoisotopic Mass: 377.17394161
• SMILES: c1(C(=O)NCCCc2ccc(cc2)OC)cnc(c2cnc(cc2)OC)cc1
• Canonical SMILES: COc1ccc(cc1)CCCNC(=O)c1ccc(nc1)c1ccc(nc1)OC
• InChI: InChI=1S/C22H23N3O3/c1-27-19-9-5-16(6-10-19)4-3-13-23-22(26)18-7-11-20(24-15-18)17-8-12-21(28-2)25-14-17/h5-12,14-15H,3-4,13H2,1-2H3,(H,23,26)
• InChIKey: JBPFBPHAFCOGLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methoxyphenyl)propyl]-6-(6-methoxypyridin-3-yl)pyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(4-methoxyphenyl)propyl]-6-(6-methoxypyridin-3-yl)pyridine-3-carboxamide
• Synonyms: 6'-methoxy-N-[3-(4-methoxyphenyl)propyl]-2,3'-bipyridine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.921202
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.381233
• LogD (pH = 7.4): 3.3820999
• Log P: 3.382111
• Molar Refractivity: 107.692 cm^3
• Polarizability: 42.47883 Å^3
• Polar Surface Area: 73.34 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.54
• LOG S: -4.97
• Polar Surface Area: 73.34 Å^2
• Rotatable Bonds: 8