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

• ChemBase ID: 566958
• Molecular Formular: C14H19N5O3
• Molecular Mass: 305.33236
• Monoisotopic Mass: 305.14878949
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCNc1ncccc1C
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCNc1ncccc1C
• InChI: InChI=1S/C14H19N5O3/c1-9-3-2-6-16-12(9)17-8-7-15-11(20)5-4-10-13(21)19-14(22)18-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,20)(H,16,17)(H2,18,19,21,22)
• InChIKey: UGGSKTXHCDQTDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.637277
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -1.9060484
• LogD (pH = 7.4): -0.8261317
• Log P: -0.65316796
• Molar Refractivity: 80.5299 cm^3
• Polarizability: 30.055328 Å^3
• Polar Surface Area: 112.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 4
• Log P: -1.09
• LOG S: -1.81
• Polar Surface Area: 112.22 Å^2
• Rotatable Bonds: 7