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

• ChemBase ID: 350984
• Molecular Formular: C19H29N3O2
• Molecular Mass: 331.45246
• Monoisotopic Mass: 331.22597718
• SMILES: N1(C(=O)c2cnc(NC3CCCCC3)cc2)CC(COC)CCC1
• Canonical SMILES: COCC1CCCN(C1)C(=O)c1ccc(nc1)NC1CCCCC1
• InChI: InChI=1S/C19H29N3O2/c1-24-14-15-6-5-11-22(13-15)19(23)16-9-10-18(20-12-16)21-17-7-3-2-4-8-17/h9-10,12,15,17H,2-8,11,13-14H2,1H3,(H,20,21)
• InChIKey: NIPQADYDPMAKQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2631698
• LogD (pH = 7.4): 2.3816564
• Log P: 2.3834155
• Molar Refractivity: 97.4891 cm^3
• Polarizability: 36.578217 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: 2.4
• LOG S: -5.0
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4