N-[(4-methoxypyridin-2-yl)methyl]-2-(pyridin-3-yl)acetamide

• ChemBase ID: 788307
• Molecular Formular: C14H15N3O2
• Molecular Mass: 257.2878
• Monoisotopic Mass: 257.11642674
• SMILES: C(=O)(NCc1nccc(c1)OC)Cc1cnccc1
• Canonical SMILES: COc1ccnc(c1)CNC(=O)Cc1cccnc1
• InChI: InChI=1S/C14H15N3O2/c1-19-13-4-6-16-12(8-13)10-17-14(18)7-11-3-2-5-15-9-11/h2-6,8-9H,7,10H2,1H3,(H,17,18)
• InChIKey: CGAJWKPCESGVMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxypyridin-2-yl)methyl]-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-[(4-methoxypyridin-2-yl)methyl]-2-(pyridin-3-yl)acetamide
• Synonyms: N-[(4-methoxypyridin-2-yl)methyl]-2-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.541047
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.15225023
• LogD (pH = 7.4): 0.23357871
• Log P: 0.24065645
• Molar Refractivity: 70.3243 cm^3
• Polarizability: 27.371202 Å^3
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.35
• LOG S: -0.79
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 5