3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide

• ChemBase ID: 852880
• Molecular Formular: C14H18N4O3
• Molecular Mass: 290.31772
• Monoisotopic Mass: 290.13789046
• SMILES: N1C(=O)NC(C1=O)CCC(=O)N(CCc1ncccc1)C
• Canonical SMILES: O=C1NC(=O)C(N1)CCC(=O)N(CCc1ccccn1)C
• InChI: InChI=1S/C14H18N4O3/c1-18(9-7-10-4-2-3-8-15-10)12(19)6-5-11-13(20)17-14(21)16-11/h2-4,8,11H,5-7,9H2,1H3,(H2,16,17,20,21)
• InChIKey: RXWXNPGRCJKCIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide
• IUPAC Traditional name: 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide
• Synonyms: 3-(2,5-dioxo-4-imidazolidinyl)-N-methyl-N-[2-(2-pyridinyl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.636109
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.81291693
• LogD (pH = 7.4): -0.77198213
• Log P: -0.7689121
• Molar Refractivity: 74.5789 cm^3
• Polarizability: 28.965076 Å^3
• Polar Surface Area: 91.4 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: -1.4
• LOG S: -0.13
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6