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

C14H12N2O3 — CID 882309

IUPAC[2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESCc1ccc(C(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C14H12N2O3/c1-10-2-4-11(5-3-10)13(17)9-19-14(18)12-8-15-6-7-16-12/h2-8H,9H2,1H3
InChIKeyFCGSWXUSHHPLBE-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.82
Rot. Bonds4

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

[2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 882309) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID882309
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESCc1ccc(C(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C14H12N2O3/c1-10-2-4-11(5-3-10)13(17)9-19-14(18)12-8-15-6-7-16-12/h2-8H,9H2,1H3
InChIKeyFCGSWXUSHHPLBE-UHFFFAOYSA-N
XLogP1.82
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-methylphenyl)-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

CID 2169348
CID 2169348
CID 7950188
CID 7950188
CID 24687258
CID 24687258
CID 24687449
CID 24687449
CID 3832481
CID 3832481
CID 761855
CID 761855
CID 647387
CID 647387
CID 653324
CID 653324
CID 686192
CID 686192
CID 882374
CID 882374
CID 921893
CID 921893
CID 929469
CID 929469

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate (CID 882309) is [2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate is Cc1ccc(C(=O)COC(=O)c2cnccn2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is FCGSWXUSHHPLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-10-2-4-11(5-3-10)13(17)9-19-14(18)12-8-15-6-7-16-12/h2-8H,9H2,1H3.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 882309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).