2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[2-(pyridin-3-ylformamido)ethyl]acetamide

• ChemBase ID: 789937
• Molecular Formular: C20H22N4O3
• Molecular Mass: 366.41368
• Monoisotopic Mass: 366.16919058
• SMILES: N1(C(=O)CC(C1)c1ccccc1)CC(=O)NCCNC(=O)c1cnccc1
• Canonical SMILES: O=C(CN1CC(CC1=O)c1ccccc1)NCCNC(=O)c1cccnc1
• InChI: InChI=1S/C20H22N4O3/c25-18(22-9-10-23-20(27)16-7-4-8-21-12-16)14-24-13-17(11-19(24)26)15-5-2-1-3-6-15/h1-8,12,17H,9-11,13-14H2,(H,22,25)(H,23,27)
• InChIKey: VDEOYMCMNLDOGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[2-(pyridin-3-ylformamido)ethyl]acetamide
• IUPAC Traditional name: 2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[2-(pyridin-3-ylformamido)ethyl]acetamide
• Synonyms: N-(2-{[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino}ethyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.803847
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.30917627
• LogD (pH = 7.4): -0.3041397
• Log P: -0.30407485
• Molar Refractivity: 100.4319 cm^3
• Polarizability: 38.297195 Å^3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.27
• LOG S: -3.41
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 7