N-{4-[2-(pyridin-2-yl)acetamido]phenyl}pentanamide

• ChemBase ID: 598605
• Molecular Formular: C18H21N3O2
• Molecular Mass: 311.37824
• Monoisotopic Mass: 311.16337693
• SMILES: C(=O)(Cc1ncccc1)Nc1ccc(NC(=O)CCCC)cc1
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1)NC(=O)Cc1ccccn1
• InChI: InChI=1S/C18H21N3O2/c1-2-3-7-17(22)20-14-8-10-15(11-9-14)21-18(23)13-16-6-4-5-12-19-16/h4-6,8-12H,2-3,7,13H2,1H3,(H,20,22)(H,21,23)
• InChIKey: BUNRCWZRLDXMCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[2-(pyridin-2-yl)acetamido]phenyl}pentanamide
• IUPAC Traditional name: N-{4-[2-(pyridin-2-yl)acetamido]phenyl}pentanamide
• Synonyms: N-{4-[(2-pyridin-2-ylacetyl)amino]phenyl}pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.85787
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.013629
• LogD (pH = 7.4): 3.0405028
• Log P: 3.0408576
• Molar Refractivity: 91.8059 cm^3
• Polarizability: 34.303013 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.81
• LOG S: -1.72
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 7