N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methylacetamide

• ChemBase ID: 537422
• Molecular Formular: C19H27N3O4
• Molecular Mass: 361.43538
• Monoisotopic Mass: 361.20015636
• SMILES: N1(C(=O)CC(C1)CN(C(=O)Cn1c(=O)c(ccc1)OC)C)C1CCCC1
• Canonical SMILES: COc1cccn(c1=O)CC(=O)N(CC1CC(=O)N(C1)C1CCCC1)C
• InChI: InChI=1S/C19H27N3O4/c1-20(18(24)13-21-9-5-8-16(26-2)19(21)25)11-14-10-17(23)22(12-14)15-6-3-4-7-15/h5,8-9,14-15H,3-4,6-7,10-13H2,1-2H3
• InChIKey: DNQCMIAMHWVNHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methylacetamide
• IUPAC Traditional name: N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-(3-methoxy-2-oxopyridin-1-yl)-N-methylacetamide
• Synonyms: N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.322079
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.28786975
• LogD (pH = 7.4): -0.28786954
• Log P: -0.2878695
• Molar Refractivity: 98.9688 cm^3
• Polarizability: 37.417732 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.06
• LOG S: -3.2
• Polar Surface Area: 71.85 Å^2
• Rotatable Bonds: 6