3-(2,5-dioxoimidazolidin-4-yl)-N-{2-[(3-methylpyridin-4-yl)amino]ethyl}propanamide

• ChemBase ID: 642671
• Molecular Formular: C14H19N5O3
• Molecular Mass: 305.33236
• Monoisotopic Mass: 305.14878949
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCNc1c(cncc1)C
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCNc1ccncc1C
• InChI: InChI=1S/C14H19N5O3/c1-9-8-15-5-4-10(9)16-6-7-17-12(20)3-2-11-13(21)19-14(22)18-11/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,16)(H,17,20)(H2,18,19,21,22)
• InChIKey: LEFVRPLJZFPXIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 9.777337
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.2322402
• LogD (pH = 7.4): -2.182322
• Log P: -1.691525
• Molar Refractivity: 80.2164 cm^3
• Polarizability: 30.051315 Å^3
• Polar Surface Area: 112.22 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 4
• Log P: -1.08
• LOG S: -1.81
• Polar Surface Area: 112.22 Å^2