[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate

C17H18N4O4 — CID 9196552

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCCc1ccccc1NC(=O)CNC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C17H18N4O4/c1-2-12-5-3-4-6-13(12)21-15(22)10-20-16(23)11-25-17(24)14-9-18-7-8-19-14/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyZBRTYNPVAPZQDU-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.95
Rot. Bonds7

About [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 9196552) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID9196552
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCCc1ccccc1NC(=O)CNC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C17H18N4O4/c1-2-12-5-3-4-6-13(12)21-15(22)10-20-16(23)11-25-17(24)14-9-18-7-8-19-14/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyZBRTYNPVAPZQDU-UHFFFAOYSA-N
XLogP0.95
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-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

Related Compounds

[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196541
N-[2-(2-ethylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 27762226
[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2355502
2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid
CID 23972998
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197473
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196711
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196545
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 9201594
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 8581015
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386285
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335548
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387148

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate (CID 9196552) is [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate is CCc1ccccc1NC(=O)CNC(=O)COC(=O)c1cnccn1.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is ZBRTYNPVAPZQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-2-12-5-3-4-6-13(12)21-15(22)10-20-16(23)11-25-17(24)14-9-18-7-8-19-14/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 342.36 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 9196552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).