2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide

• ChemBase ID: 391149
• Molecular Formular: C11H14N4O2
• Molecular Mass: 234.25446
• Monoisotopic Mass: 234.11167571
• SMILES: c1(c(C(=O)N)cccn1)NC1C(=O)N(CC1)C
• Canonical SMILES: O=C1N(C)CCC1Nc1ncccc1C(=O)N
• InChI: InChI=1S/C11H14N4O2/c1-15-6-4-8(11(15)17)14-10-7(9(12)16)3-2-5-13-10/h2-3,5,8H,4,6H2,1H3,(H2,12,16)(H,13,14)
• InChIKey: AKWZCTYVOQMKHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
• IUPAC Traditional name: 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
• Synonyms: 2-[(1-methyl-2-oxo-3-pyrrolidinyl)amino]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.624403
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.6283382
• LogD (pH = 7.4): -0.4604311
• Log P: -0.45776674
• Molar Refractivity: 63.8287 cm^3
• Polarizability: 23.152132 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.24
• LOG S: -2.43
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 3