3,6-diacetylpyrazine-2-carboxamide

C9H9N3O3 — CID 155203547

IUPAC3,6-diacetylpyrazine-2-carboxamide
SMILESCC(=O)c1cnc(C(C)=O)c(C(N)=O)n1
InChIInChI=1S/C9H9N3O3/c1-4(13)6-3-11-7(5(2)14)8(12-6)9(10)15/h3H,1-2H3,(H2,10,15)
InChIKeyUUFIABYWJUNUSM-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.02
Rot. Bonds3

About 3,6-diacetylpyrazine-2-carboxamide

3,6-diacetylpyrazine-2-carboxamide (PubChem CID 155203547) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3,6-diacetylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3,6-diacetylpyrazine-2-carboxamide
PubChem CID155203547
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name3,6-diacetylpyrazine-2-carboxamide
SMILESCC(=O)c1cnc(C(C)=O)c(C(N)=O)n1
InChIInChI=1S/C9H9N3O3/c1-4(13)6-3-11-7(5(2)14)8(12-6)9(10)15/h3H,1-2H3,(H2,10,15)
InChIKeyUUFIABYWJUNUSM-UHFFFAOYSA-N
XLogP-0.02
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-diacetylpyrazine-2-carboxamide?
The IUPAC name of 3,6-diacetylpyrazine-2-carboxamide (CID 155203547) is 3,6-diacetylpyrazine-2-carboxamide.
What is the SMILES notation for 3,6-diacetylpyrazine-2-carboxamide?
The canonical SMILES for 3,6-diacetylpyrazine-2-carboxamide is CC(=O)c1cnc(C(C)=O)c(C(N)=O)n1.
What is the InChIKey of 3,6-diacetylpyrazine-2-carboxamide?
The InChIKey is UUFIABYWJUNUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-4(13)6-3-11-7(5(2)14)8(12-6)9(10)15/h3H,1-2H3,(H2,10,15).
What are the key properties of 3,6-diacetylpyrazine-2-carboxamide?
3,6-diacetylpyrazine-2-carboxamide has a molecular weight of 207.19 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diacetylpyrazine-2-carboxamide is sourced from PubChem (CID 155203547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).