methyl 2-(pyrazine-2-carbonylamino)benzoate

C13H11N3O3 — CID 868966

IUPACmethyl 2-(pyrazine-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnccn1
InChIInChI=1S/C13H11N3O3/c1-19-13(18)9-4-2-3-5-10(9)16-12(17)11-8-14-6-7-15-11/h2-8H,1H3,(H,16,17)
InChIKeyCNOOGAXMMZRSAF-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-(pyrazine-2-carbonylamino)benzoate

methyl 2-(pyrazine-2-carbonylamino)benzoate (PubChem CID 868966) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 2-(pyrazine-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(pyrazine-2-carbonylamino)benzoate
PubChem CID868966
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Namemethyl 2-(pyrazine-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnccn1
InChIInChI=1S/C13H11N3O3/c1-19-13(18)9-4-2-3-5-10(9)16-12(17)11-8-14-6-7-15-11/h2-8H,1H3,(H,16,17)
InChIKeyCNOOGAXMMZRSAF-UHFFFAOYSA-N
XLogP1.52
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyrazine-2-carbonylamino)benzoate?
The IUPAC name of methyl 2-(pyrazine-2-carbonylamino)benzoate (CID 868966) is methyl 2-(pyrazine-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-(pyrazine-2-carbonylamino)benzoate?
The canonical SMILES for methyl 2-(pyrazine-2-carbonylamino)benzoate is COC(=O)c1ccccc1NC(=O)c1cnccn1.
What is the InChIKey of methyl 2-(pyrazine-2-carbonylamino)benzoate?
The InChIKey is CNOOGAXMMZRSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-13(18)9-4-2-3-5-10(9)16-12(17)11-8-14-6-7-15-11/h2-8H,1H3,(H,16,17).
What are the key properties of methyl 2-(pyrazine-2-carbonylamino)benzoate?
methyl 2-(pyrazine-2-carbonylamino)benzoate has a molecular weight of 257.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyrazine-2-carbonylamino)benzoate is sourced from PubChem (CID 868966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).