N-(2-{[4-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]formamido}ethyl)pyridine-3-carboxamide

• ChemBase ID: 574278
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCNC(=O)c2cnccc2)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NCCNC(=O)c1cccnc1
• InChI: InChI=1S/C19H21N5O3/c1-13-4-5-14(11-16(13)24-10-9-23-19(24)27)17(25)21-7-8-22-18(26)15-3-2-6-20-12-15/h2-6,11-12H,7-10H2,1H3,(H,21,25)(H,22,26)(H,23,27)
• InChIKey: XRRPRWIULPLZQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{[4-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]formamido}ethyl)pyridine-3-carboxamide
• IUPAC Traditional name: N-(2-{[4-methyl-3-(2-oxoimidazolidin-1-yl)phenyl]formamido}ethyl)pyridine-3-carboxamide
• Synonyms: N-(2-{[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino}ethyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.786927
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.034628823
• LogD (pH = 7.4): 0.03966555
• Log P: 0.039730396
• Molar Refractivity: 100.5648 cm^3
• Polarizability: 37.312157 Å^3
• Polar Surface Area: 103.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.22
• LOG S: -3.0
• Polar Surface Area: 103.43 Å^2
• Rotatable Bonds: 6