2-(4-cyclopentylphenyl)-N,N-dimethylpyridine-3-carboxamide

• ChemBase ID: 468797
• Molecular Formular: C19H22N2O
• Molecular Mass: 294.39078
• Monoisotopic Mass: 294.17321333
• SMILES: c1(C(=O)N(C)C)c(nccc1)c1ccc(cc1)C1CCCC1
• Canonical SMILES: CN(C(=O)c1cccnc1c1ccc(cc1)C1CCCC1)C
• InChI: InChI=1S/C19H22N2O/c1-21(2)19(22)17-8-5-13-20-18(17)16-11-9-15(10-12-16)14-6-3-4-7-14/h5,8-14H,3-4,6-7H2,1-2H3
• InChIKey: NCPZNSAZGGBCBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-cyclopentylphenyl)-N,N-dimethylpyridine-3-carboxamide
• IUPAC Traditional name: 2-(4-cyclopentylphenyl)-N,N-dimethylpyridine-3-carboxamide
• Synonyms: 2-(4-cyclopentylphenyl)-N,N-dimethylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7537165
• LogD (pH = 7.4): 3.7570198
• Log P: 3.7570622
• Molar Refractivity: 89.1277 cm^3
• Polarizability: 35.347565 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.83
• LOG S: -3.76
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3