N-{2-[(1-cyclopentyl-6-oxopiperidin-3-yl)formamido]ethyl}pyridine-3-carboxamide

• ChemBase ID: 391505
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: N1(CC(C(=O)NCCNC(=O)c2cnccc2)CCC1=O)C1CCCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CCCC1)NCCNC(=O)c1cccnc1
• InChI: InChI=1S/C19H26N4O3/c24-17-8-7-15(13-23(17)16-5-1-2-6-16)19(26)22-11-10-21-18(25)14-4-3-9-20-12-14/h3-4,9,12,15-16H,1-2,5-8,10-11,13H2,(H,21,25)(H,22,26)
• InChIKey: MLRWKPAHWZTPAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(1-cyclopentyl-6-oxopiperidin-3-yl)formamido]ethyl}pyridine-3-carboxamide
• IUPAC Traditional name: N-{2-[(1-cyclopentyl-6-oxopiperidin-3-yl)formamido]ethyl}pyridine-3-carboxamide
• Synonyms: N-(2-{[(1-cyclopentyl-6-oxopiperidin-3-yl)carbonyl]amino}ethyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.814809
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.108014174
• LogD (pH = 7.4): -0.102977306
• Log P: -0.10291247
• Molar Refractivity: 96.8808 cm^3
• Polarizability: 37.20225 Å^3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.15
• LOG S: -3.25
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6