N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)-2-(2,4-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 514874
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: C1(=O)NC(=O)CN1CC(=O)NCc1c(N(Cc2ccccc2)C)nccc1
• Canonical SMILES: O=C(CN1CC(=O)NC1=O)NCc1cccnc1N(Cc1ccccc1)C
• InChI: InChI=1S/C19H21N5O3/c1-23(11-14-6-3-2-4-7-14)18-15(8-5-9-20-18)10-21-16(25)12-24-13-17(26)22-19(24)27/h2-9H,10-13H2,1H3,(H,21,25)(H,22,26,27)
• InChIKey: DHCBBVZEEVUGMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)-2-(2,4-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)-2-(2,4-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-({2-[benzyl(methyl)amino]-3-pyridinyl}methyl)-2-(2,4-dioxo-1-imidazolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.6179085
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.086668916
• LogD (pH = 7.4): 0.57567245
• Log P: 0.60194755
• Molar Refractivity: 100.5567 cm^3
• Polarizability: 37.818783 Å^3
• Polar Surface Area: 94.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.18
• LOG S: -2.91
• Polar Surface Area: 94.64 Å^2
• Rotatable Bonds: 7