N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(pyrazin-2-yl)propanamide

• ChemBase ID: 684305
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: N1(C(=O)CC(C1)NC(=O)CCc1nccnc1)CC(C)(C)C
• Canonical SMILES: O=C(NC1CC(=O)N(C1)CC(C)(C)C)CCc1cnccn1
• InChI: InChI=1S/C16H24N4O2/c1-16(2,3)11-20-10-13(8-15(20)22)19-14(21)5-4-12-9-17-6-7-18-12/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,21)
• InChIKey: OKIZVTPCMVNTNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(pyrazin-2-yl)propanamide
• IUPAC Traditional name: N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(pyrazin-2-yl)propanamide
• Synonyms: N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]-3-(2-pyrazinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.2052145
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.22318555
• LogD (pH = 7.4): -0.22318102
• Log P: -0.22318095
• Molar Refractivity: 82.191 cm^3
• Polarizability: 32.337605 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.26
• LOG S: -1.7
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 6