(4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate

C14H12N2O4 — CID 895194

IUPAC(4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cnccn2)cc1
InChIInChI=1S/C14H12N2O4/c1-19-13(17)11-4-2-10(3-5-11)9-20-14(18)12-8-15-6-7-16-12/h2-8H,9H2,1H3
InChIKeyRBDCPQNLDKLXEI-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.62
Rot. Bonds4

About (4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate

(4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate (PubChem CID 895194) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate
PubChem CID895194
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name(4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cnccn2)cc1
InChIInChI=1S/C14H12N2O4/c1-19-13(17)11-4-2-10(3-5-11)9-20-14(18)12-8-15-6-7-16-12/h2-8H,9H2,1H3
InChIKeyRBDCPQNLDKLXEI-UHFFFAOYSA-N
XLogP1.62
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methoxycarbonylphenyl)methyl 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 (4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate (CID 895194) is (4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate is COC(=O)c1ccc(COC(=O)c2cnccn2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate?
The InChIKey is RBDCPQNLDKLXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-19-13(17)11-4-2-10(3-5-11)9-20-14(18)12-8-15-6-7-16-12/h2-8H,9H2,1H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate?
(4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl pyrazine-2-carboxylate is sourced from PubChem (CID 895194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).