N-{4-[3-(pyridin-3-yl)propanamido]phenyl}pentanamide

• ChemBase ID: 407585
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: C(=O)(Nc1ccc(NC(=O)CCCC)cc1)CCc1cnccc1
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1)NC(=O)CCc1cccnc1
• InChI: InChI=1S/C19H23N3O2/c1-2-3-6-18(23)21-16-8-10-17(11-9-16)22-19(24)12-7-15-5-4-13-20-14-15/h4-5,8-11,13-14H,2-3,6-7,12H2,1H3,(H,21,23)(H,22,24)
• InChIKey: GQLHLDMTXFUFOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[3-(pyridin-3-yl)propanamido]phenyl}pentanamide
• IUPAC Traditional name: N-{4-[3-(pyridin-3-yl)propanamido]phenyl}pentanamide
• Synonyms: N-{4-[(3-pyridin-3-ylpropanoyl)amino]phenyl}pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.0297
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0076642
• LogD (pH = 7.4): 3.0982535
• Log P: 3.0995758
• Molar Refractivity: 96.7789 cm^3
• Polarizability: 36.145412 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.37
• LOG S: -2.29
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 8