N-cycloheptyl-5-[3-(methoxymethyl)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 695789
• Molecular Formular: C20H31N3O2
• Molecular Mass: 345.47904
• Monoisotopic Mass: 345.24162725
• SMILES: N1(C(=O)c2cnc(NC3CCCCCC3)cc2)CC(COC)CCC1
• Canonical SMILES: COCC1CCCN(C1)C(=O)c1ccc(nc1)NC1CCCCCC1
• InChI: InChI=1S/C20H31N3O2/c1-25-15-16-7-6-12-23(14-16)20(24)17-10-11-19(21-13-17)22-18-8-4-2-3-5-9-18/h10-11,13,16,18H,2-9,12,14-15H2,1H3,(H,21,22)
• InChIKey: RLYYQSUDJBQMBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptyl-5-[3-(methoxymethyl)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N-cycloheptyl-5-[3-(methoxymethyl)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: N-cycloheptyl-5-{[3-(methoxymethyl)-1-piperidinyl]carbonyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7077384
• LogD (pH = 7.4): 2.826225
• Log P: 2.8279843
• Molar Refractivity: 102.0901 cm^3
• Polarizability: 38.4185 Å^3
• Polar Surface Area: 54.46 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: 2.95
• LOG S: -5.26
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4