N-cyclopentyl-2-{[3-(pyridin-3-yl)propyl]amino}propanamide

• ChemBase ID: 399241
• Molecular Formular: C16H25N3O
• Molecular Mass: 275.3892
• Monoisotopic Mass: 275.19976244
• SMILES: C(=O)(NC1CCCC1)C(NCCCc1cnccc1)C
• Canonical SMILES: O=C(C(NCCCc1cccnc1)C)NC1CCCC1
• InChI: InChI=1S/C16H25N3O/c1-13(16(20)19-15-8-2-3-9-15)18-11-5-7-14-6-4-10-17-12-14/h4,6,10,12-13,15,18H,2-3,5,7-9,11H2,1H3,(H,19,20)
• InChIKey: SHPRISGLPYBUIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.432784
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3646544
• LogD (pH = 7.4): 0.42692205
• Log P: 1.865335
• Molar Refractivity: 80.2157 cm^3
• Polarizability: 31.617495 Å^3
• Polar Surface Area: 54.02 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: 1.5
• LOG S: -1.19
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 7