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

• ChemBase ID: 386431
• Molecular Formular: C17H25N3O2
• Molecular Mass: 303.3993
• Monoisotopic Mass: 303.19467706
• SMILES: N1(C(=O)c2cnc(NC3CCC3)cc2)CC(COC)CCC1
• Canonical SMILES: COCC1CCCN(C1)C(=O)c1ccc(nc1)NC1CCC1
• InChI: InChI=1S/C17H25N3O2/c1-22-12-13-4-3-9-20(11-13)17(21)14-7-8-16(18-10-14)19-15-5-2-6-15/h7-8,10,13,15H,2-6,9,11-12H2,1H3,(H,18,19)
• InChIKey: OQJFRTYCCKSTGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3740325
• LogD (pH = 7.4): 1.4925191
• Log P: 1.4942782
• Molar Refractivity: 88.2871 cm^3
• Polarizability: 32.899635 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: 1.28
• LOG S: -4.34
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4