N-methoxy-N,3-dimethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide

• ChemBase ID: 45000
• Molecular Formular: C10H12N4O2
• Molecular Mass: 220.22788
• Monoisotopic Mass: 220.09602564
• SMILES: c1(cnc2c(c1)ncn2C)C(=O)N(C)OC
• Canonical SMILES: CON(C(=O)c1cnc2c(c1)ncn2C)C
• InChI: InChI=1S/C10H12N4O2/c1-13-6-12-8-4-7(5-11-9(8)13)10(15)14(2)16-3/h4-6H,1-3H3
• InChIKey: CVCSGAZQUBEXLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N,3-dimethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide
• IUPAC Traditional name: N-methoxy-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
• Synonyms: N-Methoxy-N,3-dimethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide; N-Methoxy-N,3-dimethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide

Database IDs

• CAS Number: 1186310-78-0
• MDL Number: MFCD12922818
• PubChem SID: 162049763
• PubChem CID: 46737966

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.08163523
• LogD (pH = 7.4): 0.08205964
• Log P: 0.082065046
• Molar Refractivity: 57.8829 cm^3
• Polarizability: 22.098778 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C10H12N4O2

DETAILS

Sigma Aldrich - ADE001236

Other Notes
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