N,N-dimethyl-6-(2-phenylphenyl)pyridine-3-carboxamide

• ChemBase ID: 526577
• Molecular Formular: C20H18N2O
• Molecular Mass: 302.36972
• Monoisotopic Mass: 302.14191321
• SMILES: C(=O)(c1cnc(c2c(c3ccccc3)cccc2)cc1)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc(nc1)c1ccccc1c1ccccc1)C
• InChI: InChI=1S/C20H18N2O/c1-22(2)20(23)16-12-13-19(21-14-16)18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-14H,1-2H3
• InChIKey: JGIMRAPKVBZSHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-(2-phenylphenyl)pyridine-3-carboxamide
• IUPAC Traditional name: N,N-dimethyl-6-(2-phenylphenyl)pyridine-3-carboxamide
• Synonyms: 6-biphenyl-2-yl-N,N-dimethylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7329476
• LogD (pH = 7.4): 3.7338552
• Log P: 3.733867
• Molar Refractivity: 92.6733 cm^3
• Polarizability: 38.00853 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.36
• LOG S: -3.42
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3