N-[1-(methoxymethyl)cyclopentyl]-3-(pyridin-4-yl)propanamide

• ChemBase ID: 695921
• Molecular Formular: C15H22N2O2
• Molecular Mass: 262.34738
• Monoisotopic Mass: 262.16812795
• SMILES: C(=O)(NC1(COC)CCCC1)CCc1ccncc1
• Canonical SMILES: COCC1(CCCC1)NC(=O)CCc1ccncc1
• InChI: InChI=1S/C15H22N2O2/c1-19-12-15(8-2-3-9-15)17-14(18)5-4-13-6-10-16-11-7-13/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,17,18)
• InChIKey: HXMHXXOTABAUML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(methoxymethyl)cyclopentyl]-3-(pyridin-4-yl)propanamide
• IUPAC Traditional name: N-[1-(methoxymethyl)cyclopentyl]-3-(pyridin-4-yl)propanamide
• Synonyms: N-[1-(methoxymethyl)cyclopentyl]-3-pyridin-4-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.148693
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3695531
• LogD (pH = 7.4): 1.4843779
• Log P: 1.4861189
• Molar Refractivity: 73.8749 cm^3
• Polarizability: 29.014135 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.72
• LOG S: -0.43
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6