N-(butan-2-yl)-N-cyclopentyl-2-methoxypyridine-3-carboxamide

• ChemBase ID: 657355
• Molecular Formular: C16H24N2O2
• Molecular Mass: 276.37396
• Monoisotopic Mass: 276.18377802
• SMILES: C(=O)(c1c(nccc1)OC)N(C1CCCC1)C(CC)C
• Canonical SMILES: CCC(N(C(=O)c1cccnc1OC)C1CCCC1)C
• InChI: InChI=1S/C16H24N2O2/c1-4-12(2)18(13-8-5-6-9-13)16(19)14-10-7-11-17-15(14)20-3/h7,10-13H,4-6,8-9H2,1-3H3
• InChIKey: VLSUNEYSKPPRPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)-N-cyclopentyl-2-methoxypyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-2-methoxy-N-(sec-butyl)pyridine-3-carboxamide
• Synonyms: N-(sec-butyl)-N-cyclopentyl-2-methoxynicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1408958
• LogD (pH = 7.4): 3.1409585
• Log P: 3.1409593
• Molar Refractivity: 79.6542 cm^3
• Polarizability: 30.631256 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.12
• LOG S: -3.88
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5