N,N-dimethyl-6-{[1-(3-phenylpropyl)piperidin-3-yl]amino}pyridine-3-carboxamide

• ChemBase ID: 614929
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: C(=O)(c1cnc(NC2CN(CCCc3ccccc3)CCC2)cc1)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc(nc1)NC1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C22H30N4O/c1-25(2)22(27)19-12-13-21(23-16-19)24-20-11-7-15-26(17-20)14-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-13,16,20H,6-7,10-11,14-15,17H2,1-2H3,(H,23,24)
• InChIKey: LCFOJDZGKVAXFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.156822
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.19269331
• LogD (pH = 7.4): 1.3614105
• Log P: 3.0627136
• Molar Refractivity: 112.4791 cm^3
• Polarizability: 42.141876 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.96
• LOG S: -4.4
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 7