N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide

C₁₇H₂₁ClN₄O — CID 109288269

About N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide

N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide (PubChem CID 109288269) has the molecular formula C₁₇H₂₁ClN₄O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
• PubChem CID: 109288269
• Molecular Formula: C₁₇H₂₁ClN₄O
• Molecular Weight: 332.84 g/mol
• Exact Mass: 332.14
• IUPAC Name: N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
• SMILES: CCCCN(C)C(=O)c1cnc(Nc2ccc(Cl)cc2C)cn1
• InChI: InChI=1S/C17H21ClN4O/c1-4-5-8-22(3)17(23)15-10-20-16(11-19-15)21-14-7-6-13(18)9-12(14)2/h6-7,9-11H,4-5,8H2,1-3H3,(H,20,21)
• InChIKey: OESBWRSPDXODJS-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.84
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide?

The IUPAC name of N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide (CID 109288269) is N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide.

What is the SMILES notation for N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide?

The canonical SMILES for N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2ccc(Cl)cc2C)cn1.

What is the InChIKey of N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide?

The InChIKey is OESBWRSPDXODJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-4-5-8-22(3)17(23)15-10-20-16(11-19-15)21-14-7-6-13(18)9-12(14)2/h6-7,9-11H,4-5,8H2,1-3H3,(H,20,21).

What are the key properties of N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide?

N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109288269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 109288269 — identifiers, structure, computed properties (public domain)

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