N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide

C₁₉H₂₆N₄O — CID 109288254

About N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide

N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide (PubChem CID 109288254) has the molecular formula C₁₉H₂₆N₄O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
• PubChem CID: 109288254
• Molecular Formula: C₁₉H₂₆N₄O
• Molecular Weight: 326.44 g/mol
• Exact Mass: 326.21
• IUPAC Name: N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
• SMILES: CCCCN(C)C(=O)c1cnc(Nc2c(C)cccc2CC)cn1
• InChI: InChI=1S/C19H26N4O/c1-5-7-11-23(4)19(24)16-12-21-17(13-20-16)22-18-14(3)9-8-10-15(18)6-2/h8-10,12-13H,5-7,11H2,1-4H3,(H,21,22)
• InChIKey: PPRIKZVMMHDONM-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.44
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide?

The IUPAC name of N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide (CID 109288254) is N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide.

What is the SMILES notation for N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide?

The canonical SMILES for N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2c(C)cccc2CC)cn1.

What is the InChIKey of N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide?

The InChIKey is PPRIKZVMMHDONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-7-11-23(4)19(24)16-12-21-17(13-20-16)22-18-14(3)9-8-10-15(18)6-2/h8-10,12-13H,5-7,11H2,1-4H3,(H,21,22).

What are the key properties of N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide?

N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109288254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 109288254 — identifiers, structure, computed properties (public domain)

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