N,N-dimethyl-6-{4-[1-(piperidin-1-yl)ethyl]phenyl}pyridine-2-carboxamide

• ChemBase ID: 729183
• Molecular Formular: C21H27N3O
• Molecular Mass: 337.45858
• Monoisotopic Mass: 337.2154125
• SMILES: n1c(C(=O)N(C)C)cccc1c1ccc(C(N2CCCCC2)C)cc1
• Canonical SMILES: CN(C(=O)c1cccc(n1)c1ccc(cc1)C(N1CCCCC1)C)C
• InChI: InChI=1S/C21H27N3O/c1-16(24-14-5-4-6-15-24)17-10-12-18(13-11-17)19-8-7-9-20(22-19)21(25)23(2)3/h7-13,16H,4-6,14-15H2,1-3H3
• InChIKey: USZNTJUHRYMWMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-{4-[1-(piperidin-1-yl)ethyl]phenyl}pyridine-2-carboxamide
• IUPAC Traditional name: N,N-dimethyl-6-{4-[1-(piperidin-1-yl)ethyl]phenyl}pyridine-2-carboxamide
• Synonyms: N,N-dimethyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.26352906
• LogD (pH = 7.4): 1.4318538
• Log P: 3.6808298
• Molar Refractivity: 102.2686 cm^3
• Polarizability: 40.639786 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.34
• LOG S: -3.66
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4