N-[(3R,4S)-4-cyclopropyl-1-(5,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

• ChemBase ID: 374413
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: N1(c2nc(c(nc2)C)C)C[C@@H]([C@H](C1)NC(=O)CN1C(=O)CCC1)C1CC1
• Canonical SMILES: O=C(CN1CCCC1=O)N[C@H]1CN(C[C@@H]1C1CC1)c1cnc(c(n1)C)C
• InChI: InChI=1S/C19H27N5O2/c1-12-13(2)21-17(8-20-12)24-9-15(14-5-6-14)16(10-24)22-18(25)11-23-7-3-4-19(23)26/h8,14-16H,3-7,9-11H2,1-2H3,(H,22,25)/t15-,16+/m1/s1
• InChIKey: OQZWIAKWCDLINP-CVEARBPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4S)-4-cyclopropyl-1-(5,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[(3R,4S)-4-cyclopropyl-1-(5,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
• Synonyms: N-[(3R*,4S*)-4-cyclopropyl-1-(5,6-dimethyl-2-pyrazinyl)-3-pyrrolidinyl]-2-(2-oxo-1-pyrrolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.048556
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.43471918
• LogD (pH = 7.4): -0.43421784
• Log P: -0.43421143
• Molar Refractivity: 97.9888 cm^3
• Polarizability: 37.40872 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.24
• LOG S: -2.87
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 5