Cas no 915949-00-7 (5-Chloro-N,N-dimethylpyrazine-2-carboxamide)

5-Chloro-N,N-dimethylpyrazine-2-carboxamide is a pyrazine derivative with a chloro substituent at the 5-position and a dimethylcarboxamide group at the 2-position. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate. The chloro and carboxamide functional groups enhance its reactivity, enabling further derivatization for applications in drug discovery and material science. Its well-defined structure and stability under standard conditions make it suitable for controlled synthetic processes. The compound's purity and consistency are critical for reproducible results in experimental studies, particularly in the development of biologically active molecules.
5-Chloro-N,N-dimethylpyrazine-2-carboxamide structure
915949-00-7 structure
Product Name:5-Chloro-N,N-dimethylpyrazine-2-carboxamide
CAS No:915949-00-7
MF:C7H8ClN3O
MW:185.610919952393
CID:2145070
PubChem ID:59000470
Update Time:2025-06-12

5-Chloro-N,N-dimethylpyrazine-2-carboxamide Chemical and Physical Properties

Names and Identifiers

    • 5-chloro-N,N-dimethyl-pyrazine-2-carboxamide
    • 5-chloro-N,N-dimethylpyrazine-2-carboxamide
    • IBZOWEQTYFZAEX-UHFFFAOYSA-N
    • 2-Pyrazinecarboxamide, 5-chloro-N,N-dimethyl-
    • 5-Chloro-N,N-dimethylpyrazine-2-carboxamide
    • Inchi: 1S/C7H8ClN3O/c1-11(2)7(12)5-3-10-6(8)4-9-5/h3-4H,1-2H3
    • InChI Key: IBZOWEQTYFZAEX-UHFFFAOYSA-N
    • SMILES: ClC1=CN=C(C=N1)C(N(C)C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 174
  • XLogP3: 0.1
  • Topological Polar Surface Area: 46.1

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Additional information on 5-Chloro-N,N-dimethylpyrazine-2-carboxamide

Comprehensive Overview of 5-Chloro-N,N-dimethylpyrazine-2-carboxamide (CAS No. 915949-00-7)

5-Chloro-N,N-dimethylpyrazine-2-carboxamide (CAS No. 915949-00-7) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound belongs to the pyrazine family, a class of heterocyclic compounds known for their diverse biological activities. The presence of a chloro substituent and a dimethylcarboxamide group in its structure makes it a valuable intermediate in the synthesis of more complex molecules. Researchers are particularly interested in its potential applications due to its unique chemical properties and reactivity.

In recent years, the demand for pyrazine derivatives has surged, driven by their utility in drug discovery and crop protection. 5-Chloro-N,N-dimethylpyrazine-2-carboxamide is no exception, as it serves as a key building block in the development of novel therapeutics and agrochemicals. Its molecular formula, C7H8ClN3O, and molecular weight of 185.61 g/mol, make it a relatively small yet highly functionalized molecule. This balance between size and functionality is crucial for its role in medicinal chemistry, where it can be easily modified to enhance bioavailability or target specificity.

One of the most frequently searched questions regarding this compound is: "What are the applications of 5-Chloro-N,N-dimethylpyrazine-2-carboxamide in drug development?" The answer lies in its versatility. The compound's pyrazine core is a common motif in FDA-approved drugs, particularly those targeting central nervous system (CNS) disorders and infectious diseases. Its chloro and carboxamide groups provide sites for further chemical modifications, enabling the creation of libraries of derivatives for high-throughput screening. This approach is aligned with current trends in AI-driven drug discovery, where computational tools are used to predict the bioactivity of such derivatives before synthesis.

Another hot topic in the scientific community is the role of 5-Chloro-N,N-dimethylpyrazine-2-carboxamide in sustainable agriculture. With the growing emphasis on reducing the environmental impact of agrochemicals, researchers are exploring greener alternatives. This compound's potential as a precursor for eco-friendly pesticides is under investigation, particularly due to its ability to inhibit specific enzymes in pests without harming beneficial organisms. Searches like "pyrazine-based agrochemicals" and "sustainable crop protection" reflect the increasing interest in this area.

The synthesis of 5-Chloro-N,N-dimethylpyrazine-2-carboxamide typically involves the reaction of 2,5-dichloropyrazine with dimethylamine, followed by carboxamide formation. This process highlights the importance of regioselective functionalization, a technique that ensures the correct positioning of substituents on the pyrazine ring. Such precision is critical for achieving the desired biological activity and minimizing side reactions. Recent advancements in flow chemistry have further optimized this synthesis, making it more scalable and cost-effective for industrial applications.

From a regulatory perspective, 5-Chloro-N,N-dimethylpyrazine-2-carboxamide is not classified as a hazardous substance under major global frameworks like REACH or TSCA. However, proper handling and storage are still recommended to maintain its stability and purity. The compound's shelf life can be extended by storing it in a cool, dry place, away from direct sunlight. These practical considerations are often overlooked in academic discussions but are crucial for industrial users who frequently search for "storage conditions for pyrazine derivatives".

In conclusion, 5-Chloro-N,N-dimethylpyrazine-2-carboxamide (CAS No. 915949-00-7) is a multifaceted compound with promising applications in both pharmaceuticals and agriculture. Its structural features align with current research priorities, such as targeted drug delivery and sustainable pest control. As the scientific community continues to explore its potential, this compound is likely to remain a subject of interest in both academic and industrial settings. For those seeking more information, queries like "pyrazine carboxamide synthesis" or "biological activities of chloro-substituted pyrazines" can yield valuable insights into its expanding role in modern chemistry.

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