N-cyclopentyl-2-{[(2-ethoxypyridin-3-yl)methyl]amino}propanamide

• ChemBase ID: 727743
• Molecular Formular: C16H25N3O2
• Molecular Mass: 291.3886
• Monoisotopic Mass: 291.19467706
• SMILES: C(=O)(NC1CCCC1)C(NCc1c(nccc1)OCC)C
• Canonical SMILES: CCOc1ncccc1CNC(C(=O)NC1CCCC1)C
• InChI: InChI=1S/C16H25N3O2/c1-3-21-16-13(7-6-10-17-16)11-18-12(2)15(20)19-14-8-4-5-9-14/h6-7,10,12,14,18H,3-5,8-9,11H2,1-2H3,(H,19,20)
• InChIKey: ICDGKWGKTUGDQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-{[(2-ethoxypyridin-3-yl)methyl]amino}propanamide
• IUPAC Traditional name: N-cyclopentyl-2-{[(2-ethoxypyridin-3-yl)methyl]amino}propanamide
• Synonyms: N-cyclopentyl-2-{[(2-ethoxypyridin-3-yl)methyl]amino}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.192849
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.04771506
• LogD (pH = 7.4): 1.629201
• Log P: 1.9256994
• Molar Refractivity: 82.385 cm^3
• Polarizability: 32.36868 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.25
• LOG S: -3.25
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 7