2-hydroxy-N,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridine-3-carboxamide

• ChemBase ID: 521814
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: c1(C(=O)N(C2CN(CCCc3ccccc3)CCC2)C)c(nc(cc1)C)O
• Canonical SMILES: Cc1ccc(c(n1)O)C(=O)N(C1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C22H29N3O2/c1-17-12-13-20(21(26)23-17)22(27)24(2)19-11-7-15-25(16-19)14-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-13,19H,6-7,10-11,14-16H2,1-2H3,(H,23,26)
• InChIKey: FPKCHBCZIXNQIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridine-3-carboxamide
• IUPAC Traditional name: 2-hydroxy-N,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridine-3-carboxamide
• Synonyms: 2-hydroxy-N,6-dimethyl-N-[1-(3-phenylpropyl)-3-piperidinyl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.191817
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1380401
• LogD (pH = 7.4): 2.8756967
• Log P: 3.905376
• Molar Refractivity: 108.8577 cm^3
• Polarizability: 41.52984 Å^3
• Polar Surface Area: 56.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.93
• LOG S: -4.63
• Polar Surface Area: 56.67 Å^2
• Rotatable Bonds: 6