N-cyclopentyl-2-[(2-methylpropyl)(pyridin-2-ylmethyl)amino]propanamide

• ChemBase ID: 548604
• Molecular Formular: C18H29N3O
• Molecular Mass: 303.44236
• Monoisotopic Mass: 303.23106256
• SMILES: C(=O)(C(N(Cc1ncccc1)CC(C)C)C)NC1CCCC1
• Canonical SMILES: CC(CN(C(C(=O)NC1CCCC1)C)Cc1ccccn1)C
• InChI: InChI=1S/C18H29N3O/c1-14(2)12-21(13-17-10-6-7-11-19-17)15(3)18(22)20-16-8-4-5-9-16/h6-7,10-11,14-16H,4-5,8-9,12-13H2,1-3H3,(H,20,22)
• InChIKey: IASBSGMWBARCJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-[(2-methylpropyl)(pyridin-2-ylmethyl)amino]propanamide
• IUPAC Traditional name: N-cyclopentyl-2-[(2-methylpropyl)(pyridin-2-ylmethyl)amino]propanamide
• Synonyms: N-cyclopentyl-2-[isobutyl(pyridin-2-ylmethyl)amino]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.520838
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3230952
• LogD (pH = 7.4): 2.6927016
• Log P: 2.840928
• Molar Refractivity: 89.3764 cm^3
• Polarizability: 35.38017 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.92
• LOG S: -2.6
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 7