N-cyclopentyl-N'-{2-[(4-methylpyridin-2-yl)amino]ethyl}butanediamide

• ChemBase ID: 429841
• Molecular Formular: C17H26N4O2
• Molecular Mass: 318.41394
• Monoisotopic Mass: 318.20557609
• SMILES: C(=O)(NC1CCCC1)CCC(=O)NCCNc1nccc(c1)C
• Canonical SMILES: O=C(CCC(=O)NC1CCCC1)NCCNc1nccc(c1)C
• InChI: InChI=1S/C17H26N4O2/c1-13-8-9-18-15(12-13)19-10-11-20-16(22)6-7-17(23)21-14-4-2-3-5-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,18,19)(H,20,22)(H,21,23)
• InChIKey: FNSYDGAVOANNGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N'-{2-[(4-methylpyridin-2-yl)amino]ethyl}butanediamide
• IUPAC Traditional name: N-cyclopentyl-N'-{2-[(4-methylpyridin-2-yl)amino]ethyl}succinamide
• Synonyms: N-cyclopentyl-N'-{2-[(4-methylpyridin-2-yl)amino]ethyl}succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.296019
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.40247318
• LogD (pH = 7.4): 0.6603828
• Log P: 0.9543913
• Molar Refractivity: 90.8686 cm^3
• Polarizability: 34.28869 Å^3
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.93
• LOG S: -3.17
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 8