[2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate

C15H14N4O4 — CID 2378846

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H14N4O4/c1-10(20)18-11-2-4-12(5-3-11)19-14(21)9-23-15(22)13-8-16-6-7-17-13/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyDTRIBZIANQSRMC-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.23
Rot. Bonds5

About [2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate

[2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2378846) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2378846
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H14N4O4/c1-10(20)18-11-2-4-12(5-3-11)19-14(21)9-23-15(22)13-8-16-6-7-17-13/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyDTRIBZIANQSRMC-UHFFFAOYSA-N
XLogP1.23
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate (CID 2378846) is [2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate is CC(=O)Nc1ccc(NC(=O)COC(=O)c2cnccn2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is DTRIBZIANQSRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-10(20)18-11-2-4-12(5-3-11)19-14(21)9-23-15(22)13-8-16-6-7-17-13/h2-8H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 314.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2378846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).