2-(1-methyl-1H-pyrrol-2-yl)-2-oxo-N-[1-(pyrazin-2-yl)propan-2-yl]acetamide

• ChemBase ID: 353931
• Molecular Formular: C14H16N4O2
• Molecular Mass: 272.30244
• Monoisotopic Mass: 272.12732577
• SMILES: C(=O)(c1n(ccc1)C)C(=O)NC(Cc1nccnc1)C
• Canonical SMILES: CC(NC(=O)C(=O)c1cccn1C)Cc1cnccn1
• InChI: InChI=1S/C14H16N4O2/c1-10(8-11-9-15-5-6-16-11)17-14(20)13(19)12-4-3-7-18(12)2/h3-7,9-10H,8H2,1-2H3,(H,17,20)
• InChIKey: KPSSSYYHMARGGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-pyrrol-2-yl)-2-oxo-N-[1-(pyrazin-2-yl)propan-2-yl]acetamide
• IUPAC Traditional name: 2-(1-methylpyrrol-2-yl)-2-oxo-N-[1-(pyrazin-2-yl)propan-2-yl]acetamide
• Synonyms: N-(1-methyl-2-pyrazin-2-ylethyl)-2-(1-methyl-1H-pyrrol-2-yl)-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.178406
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.15496573
• LogD (pH = 7.4): 0.15496369
• Log P: 0.15497015
• Molar Refractivity: 73.4024 cm^3
• Polarizability: 28.088697 Å^3
• Polar Surface Area: 76.88 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: -0.7
• LOG S: -1.9
• Polar Surface Area: 76.88 Å^2
• Rotatable Bonds: 5