N-[3-(6-methoxypyridin-2-yl)phenyl]acetamide

• ChemBase ID: 526521
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: n1c(c2cc(NC(=O)C)ccc2)cccc1OC
• Canonical SMILES: COc1cccc(n1)c1cccc(c1)NC(=O)C
• InChI: InChI=1S/C14H14N2O2/c1-10(17)15-12-6-3-5-11(9-12)13-7-4-8-14(16-13)18-2/h3-9H,1-2H3,(H,15,17)
• InChIKey: XRGWYLHTLMYBFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(6-methoxypyridin-2-yl)phenyl]acetamide
• IUPAC Traditional name: N-[3-(6-methoxypyridin-2-yl)phenyl]acetamide
• Synonyms: N-[3-(6-methoxy-2-pyridinyl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.125605
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4628828
• LogD (pH = 7.4): 2.4631424
• Log P: 2.4631457
• Molar Refractivity: 70.305 cm^3
• Polarizability: 27.792309 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.75
• LOG S: -3.32
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3