N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,2,6-trimethylpyridine-4-carboxamide

• ChemBase ID: 572832
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: C(=O)(N(C(c1ncccc1)COC)C)c1cc(nc(c1)C)C
• Canonical SMILES: COCC(N(C(=O)c1cc(C)nc(c1)C)C)c1ccccn1
• InChI: InChI=1S/C17H21N3O2/c1-12-9-14(10-13(2)19-12)17(21)20(3)16(11-22-4)15-7-5-6-8-18-15/h5-10,16H,11H2,1-4H3
• InChIKey: VMPAZOVQKAJJCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,2,6-trimethylpyridine-4-carboxamide
• IUPAC Traditional name: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,2,6-trimethylpyridine-4-carboxamide
• Synonyms: N-(2-methoxy-1-pyridin-2-ylethyl)-N,2,6-trimethylisonicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9865458
• LogD (pH = 7.4): 1.0684341
• Log P: 1.0695595
• Molar Refractivity: 84.6782 cm^3
• Polarizability: 32.54388 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.5
• LOG S: -0.51
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5