N-methyl-2-[4-(pyridin-4-yl)phenyl]acetamide

• ChemBase ID: 577391
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=O)(Cc1ccc(c2ccncc2)cc1)NC
• Canonical SMILES: CNC(=O)Cc1ccc(cc1)c1ccncc1
• InChI: InChI=1S/C14H14N2O/c1-15-14(17)10-11-2-4-12(5-3-11)13-6-8-16-9-7-13/h2-9H,10H2,1H3,(H,15,17)
• InChIKey: KCVNWKKJIFDTLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[4-(pyridin-4-yl)phenyl]acetamide
• IUPAC Traditional name: N-methyl-2-[4-(pyridin-4-yl)phenyl]acetamide
• Synonyms: N-methyl-2-(4-pyridin-4-ylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.816609
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3347588
• LogD (pH = 7.4): 1.4554337
• Log P: 1.4572805
• Molar Refractivity: 67.0638 cm^3
• Polarizability: 27.152588 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.08
• LOG S: -1.77
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3