N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrrolidine-1-carboxamide

• ChemBase ID: 559796
• Molecular Formular: C20H21N5O3
• Molecular Mass: 379.41244
• Monoisotopic Mass: 379.16443956
• SMILES: N1(C(=O)N(CC1=O)C)c1cc(NC(=O)N2C(c3ncccc3)CCC2)ccc1
• Canonical SMILES: CN1CC(=O)N(C1=O)c1cccc(c1)NC(=O)N1CCCC1c1ccccn1
• InChI: InChI=1S/C20H21N5O3/c1-23-13-18(26)25(20(23)28)15-7-4-6-14(12-15)22-19(27)24-11-5-9-17(24)16-8-2-3-10-21-16/h2-4,6-8,10,12,17H,5,9,11,13H2,1H3,(H,22,27)
• InChIKey: KDSFKTRTPUNSJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrrolidine-1-carboxamide
• IUPAC Traditional name: N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrrolidine-1-carboxamide
• Synonyms: N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.69879
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1984031
• LogD (pH = 7.4): 1.212449
• Log P: 1.2126334
• Molar Refractivity: 103.17 cm^3
• Polarizability: 38.90236 Å^3
• Polar Surface Area: 85.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.4
• LOG S: -1.64
• Polar Surface Area: 85.85 Å^2
• Rotatable Bonds: 3