N-[3-(cyclopentyloxy)propyl]-2-oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 510874
• Molecular Formular: C17H26N2O3
• Molecular Mass: 306.39994
• Monoisotopic Mass: 306.1943427
• SMILES: c1(c(=O)[nH]c(cc1)C(C)C)C(=O)NCCCOC1CCCC1
• Canonical SMILES: CC(c1ccc(c(=O)[nH]1)C(=O)NCCCOC1CCCC1)C
• InChI: InChI=1S/C17H26N2O3/c1-12(2)15-9-8-14(17(21)19-15)16(20)18-10-5-11-22-13-6-3-4-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,18,20)(H,19,21)
• InChIKey: OUZIWLAQUBEASZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-2-oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-6-isopropyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]-6-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.694686
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4780898
• LogD (pH = 7.4): 1.4778973
• Log P: 1.4780924
• Molar Refractivity: 87.9753 cm^3
• Polarizability: 33.216587 Å^3
• Polar Surface Area: 67.43 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: 1.43
• LOG S: -2.66
• Polar Surface Area: 71.19 Å^2
• Rotatable Bonds: 7