N,N-bis(2-methoxyethyl)-2,6-dimethylpyridine-4-carboxamide

• ChemBase ID: 787399
• Molecular Formular: C14H22N2O3
• Molecular Mass: 266.33608
• Monoisotopic Mass: 266.16304257
• SMILES: C(=O)(c1cc(nc(c1)C)C)N(CCOC)CCOC
• Canonical SMILES: COCCN(C(=O)c1cc(C)nc(c1)C)CCOC
• InChI: InChI=1S/C14H22N2O3/c1-11-9-13(10-12(2)15-11)14(17)16(5-7-18-3)6-8-19-4/h9-10H,5-8H2,1-4H3
• InChIKey: RWHDCKDMQRMFAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(2-methoxyethyl)-2,6-dimethylpyridine-4-carboxamide
• IUPAC Traditional name: N,N-bis(2-methoxyethyl)-2,6-dimethylpyridine-4-carboxamide
• Synonyms: N,N-bis(2-methoxyethyl)-2,6-dimethylisonicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.15040965
• LogD (pH = 7.4): 0.22136903
• Log P: 0.22235514
• Molar Refractivity: 74.0429 cm^3
• Polarizability: 28.244133 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.11
• LOG S: -2.55
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7