[2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C16H17N3O4 — CID 2498149

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C16H17N3O4/c1-3-22-14-7-5-4-6-12(14)19-15(20)10-23-16(21)13-9-17-11(2)8-18-13/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyXBBMGEPZOMNJBJ-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.98
Rot. Bonds6

About [2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2498149) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2498149
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C16H17N3O4/c1-3-22-14-7-5-4-6-12(14)19-15(20)10-23-16(21)13-9-17-11(2)8-18-13/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyXBBMGEPZOMNJBJ-UHFFFAOYSA-N
XLogP1.98
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-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-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2498149) is [2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is CCOc1ccccc1NC(=O)COC(=O)c1cnc(C)cn1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is XBBMGEPZOMNJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-3-22-14-7-5-4-6-12(14)19-15(20)10-23-16(21)13-9-17-11(2)8-18-13/h4-9H,3,10H2,1-2H3,(H,19,20).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2498149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).