4-methyl-N-[5-(2H3)methyl(2H3)pyridin-2-yl]benzamide

• ChemBase ID: 173918
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: c1c(ccc(c1)C(=O)Nc1ccc(cn1)C)C
• Canonical SMILES: Cc1ccc(cc1)C(=O)Nc1ccc(cn1)C
• InChI: InChI=1S/C14H14N2O/c1-10-3-6-12(7-4-10)14(17)16-13-8-5-11(2)9-15-13/h3-9H,1-2H3,(H,15,16,17)
• InChIKey: NBFFPKCKCRTTRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-[5-(^2H₃)methyl(^2H₃)pyridin-2-yl]benzamide
• IUPAC Traditional name: 4-methyl-N-[5-(^2H₃)methyl(^2H₃)pyridin-2-yl]benzamide
• Synonyms: Zolpyridine; Zolpidem Impurity; 4-Methyl-N-(5-methyl-2-pyridinyl)benzamide-d6

Database IDs

• PubChem SID: 164229828
• PubChem CID: 71750445

CALCULATED PROPERTIES

• Acid pKa: 10.747034
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4669812
• LogD (pH = 7.4): 3.4685466
• Log P: 3.4687586
• Molar Refractivity: 69.8305 cm^3
• Polarizability: 25.671484 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M320372

A labelled impurity of Zolpidem (Z650000).

REFERENCES

• Laviana, L., et al.: J. Pharm. Biomed. Anal., 36, 925 (2000)
• Zivanovic, L., et al.: J. Pharm. Biomed. Anal., 50, 640 (2000)
• Ring, P., et al.: J. Pharm. Biomed. Anal., 22, 495 (2000)