N-[(4,6-dimethylpyridin-2-yl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide

• ChemBase ID: 858835
• Molecular Formular: C15H20N4O3
• Molecular Mass: 304.3443
• Monoisotopic Mass: 304.15354052
• SMILES: N1C(=O)NC(C1=O)CCC(=O)N(Cc1nc(cc(c1)C)C)C
• Canonical SMILES: O=C1NC(C(=O)N1)CCC(=O)N(Cc1cc(C)cc(n1)C)C
• InChI: InChI=1S/C15H20N4O3/c1-9-6-10(2)16-11(7-9)8-19(3)13(20)5-4-12-14(21)18-15(22)17-12/h6-7,12H,4-5,8H2,1-3H3,(H2,17,18,21,22)
• InChIKey: FRMIXMNOXMOKQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4,6-dimethylpyridin-2-yl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
• IUPAC Traditional name: N-[(4,6-dimethylpyridin-2-yl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
• Synonyms: N-[(4,6-dimethyl-2-pyridinyl)methyl]-3-(2,5-dioxo-4-imidazolidinyl)-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.63461
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.7183376
• LogD (pH = 7.4): -0.37065703
• Log P: -0.36113328
• Molar Refractivity: 79.5122 cm^3
• Polarizability: 30.645561 Å^3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.9
• LOG S: -0.66
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 5