6-{[1-(cyclohexylmethyl)piperidin-3-yl]amino}-N,N-dimethylpyridine-3-carboxamide

• ChemBase ID: 709557
• Molecular Formular: C20H32N4O
• Molecular Mass: 344.49428
• Monoisotopic Mass: 344.25761166
• SMILES: C(=O)(c1cnc(NC2CN(CC3CCCCC3)CCC2)cc1)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc(nc1)NC1CCCN(C1)CC1CCCCC1)C
• InChI: InChI=1S/C20H32N4O/c1-23(2)20(25)17-10-11-19(21-13-17)22-18-9-6-12-24(15-18)14-16-7-4-3-5-8-16/h10-11,13,16,18H,3-9,12,14-15H2,1-2H3,(H,21,22)
• InChIKey: FMOAMNGSEDWELT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{[1-(cyclohexylmethyl)piperidin-3-yl]amino}-N,N-dimethylpyridine-3-carboxamide
• IUPAC Traditional name: 6-{[1-(cyclohexylmethyl)piperidin-3-yl]amino}-N,N-dimethylpyridine-3-carboxamide
• Synonyms: 6-{[1-(cyclohexylmethyl)-3-piperidinyl]amino}-N,N-dimethylnicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.156809
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.67968935
• LogD (pH = 7.4): 0.59663963
• Log P: 2.7192938
• Molar Refractivity: 104.2555 cm^3
• Polarizability: 39.252975 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.04
• LOG S: -4.31
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5