N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)propanamide

• ChemBase ID: 509627
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: N1(C(=O)CCC1)CCC(=O)NC(C1CC1)c1nccc(c1)C
• Canonical SMILES: O=C(NC(c1nccc(c1)C)C1CC1)CCN1CCCC1=O
• InChI: InChI=1S/C17H23N3O2/c1-12-6-8-18-14(11-12)17(13-4-5-13)19-15(21)7-10-20-9-2-3-16(20)22/h6,8,11,13,17H,2-5,7,9-10H2,1H3,(H,19,21)
• InChIKey: WQFOMCZQMAONNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)propanamide
• IUPAC Traditional name: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)propanamide
• Synonyms: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.485086
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.79411125
• LogD (pH = 7.4): 0.86897314
• Log P: 0.8700238
• Molar Refractivity: 83.3195 cm^3
• Polarizability: 32.413395 Å^3
• Polar Surface Area: 62.3 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: 0.12
• LOG S: -1.51
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 6