2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]acetamide

• ChemBase ID: 625269
• Molecular Formular: C14H18N4O4
• Molecular Mass: 306.31712
• Monoisotopic Mass: 306.13280508
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCCn1c(=O)cccc1C
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCCCn1c(C)cccc1=O
• InChI: InChI=1S/C14H18N4O4/c1-10-4-2-5-12(20)17(10)7-3-6-15-11(19)9-18-13(21)8-16-14(18)22/h2,4-5H,3,6-9H2,1H3,(H,15,19)(H,16,22)
• InChIKey: CHEJYXDHGVCJNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methyl-6-oxopyridin-1-yl)propyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-[3-(6-methyl-2-oxo-1(2H)-pyridinyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.043451
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0007823
• LogD (pH = 7.4): -2.000792
• Log P: -2.0007823
• Molar Refractivity: 80.4038 cm^3
• Polarizability: 29.532175 Å^3
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.75
• LOG S: -1.25
• Polar Surface Area: 100.51 Å^2
• Rotatable Bonds: 6