methyl 3-amino-5-benzoylpyrazine-2-carboxylate

C13H11N3O3 — CID 15743925

IUPACmethyl 3-amino-5-benzoylpyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(C(=O)c2ccccc2)nc1N
InChIInChI=1S/C13H11N3O3/c1-19-13(18)10-12(14)16-9(7-15-10)11(17)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,16)
InChIKeyOYTJUCNCPJWTSL-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.08
Rot. Bonds3

About methyl 3-amino-5-benzoylpyrazine-2-carboxylate

methyl 3-amino-5-benzoylpyrazine-2-carboxylate (PubChem CID 15743925) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 3-amino-5-benzoylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-benzoylpyrazine-2-carboxylate
PubChem CID15743925
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Namemethyl 3-amino-5-benzoylpyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(C(=O)c2ccccc2)nc1N
InChIInChI=1S/C13H11N3O3/c1-19-13(18)10-12(14)16-9(7-15-10)11(17)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,16)
InChIKeyOYTJUCNCPJWTSL-UHFFFAOYSA-N
XLogP1.08
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-amino-5-benzoylpyrazine-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 methyl 3-amino-5-benzoylpyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-benzoylpyrazine-2-carboxylate (CID 15743925) is methyl 3-amino-5-benzoylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-benzoylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-benzoylpyrazine-2-carboxylate is COC(=O)c1ncc(C(=O)c2ccccc2)nc1N.
What is the InChIKey of methyl 3-amino-5-benzoylpyrazine-2-carboxylate?
The InChIKey is OYTJUCNCPJWTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-13(18)10-12(14)16-9(7-15-10)11(17)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,16).
What are the key properties of methyl 3-amino-5-benzoylpyrazine-2-carboxylate?
methyl 3-amino-5-benzoylpyrazine-2-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-benzoylpyrazine-2-carboxylate is sourced from PubChem (CID 15743925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).