(2-benzamido-2-oxoethyl) pyrazine-2-carboxylate

C14H11N3O4 — CID 7702474

IUPAC(2-benzamido-2-oxoethyl) pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)NC(=O)c1ccccc1
InChIInChI=1S/C14H11N3O4/c18-12(17-13(19)10-4-2-1-3-5-10)9-21-14(20)11-8-15-6-7-16-11/h1-8H,9H2,(H,17,18,19)
InChIKeyREBJWLSYOOCSRK-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.59
Rot. Bonds4

About (2-benzamido-2-oxoethyl) pyrazine-2-carboxylate

(2-benzamido-2-oxoethyl) pyrazine-2-carboxylate (PubChem CID 7702474) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) pyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) pyrazine-2-carboxylate
PubChem CID7702474
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name(2-benzamido-2-oxoethyl) pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)NC(=O)c1ccccc1
InChIInChI=1S/C14H11N3O4/c18-12(17-13(19)10-4-2-1-3-5-10)9-21-14(20)11-8-15-6-7-16-11/h1-8H,9H2,(H,17,18,19)
InChIKeyREBJWLSYOOCSRK-UHFFFAOYSA-N
XLogP0.59
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-benzamido-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-benzamido-2-oxoethyl) pyrazine-2-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) pyrazine-2-carboxylate (CID 7702474) is (2-benzamido-2-oxoethyl) pyrazine-2-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) pyrazine-2-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) pyrazine-2-carboxylate?
The InChIKey is REBJWLSYOOCSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-12(17-13(19)10-4-2-1-3-5-10)9-21-14(20)11-8-15-6-7-16-11/h1-8H,9H2,(H,17,18,19).
What are the key properties of (2-benzamido-2-oxoethyl) pyrazine-2-carboxylate?
(2-benzamido-2-oxoethyl) pyrazine-2-carboxylate has a molecular weight of 285.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) pyrazine-2-carboxylate is sourced from PubChem (CID 7702474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).