N-acetyl-2-oxo-1H-pyrazine-3-carboxamide

C7H7N3O3 — CID 22674962

IUPACN-acetyl-2-oxo-1H-pyrazine-3-carboxamide
SMILESCC(=O)NC(=O)c1ncc[nH]c1=O
InChIInChI=1S/C7H7N3O3/c1-4(11)10-7(13)5-6(12)9-3-2-8-5/h2-3H,1H3,(H,9,12)(H,10,11,13)
InChIKeySFQJBOOHJILGKC-UHFFFAOYSA-N
MW181.15 g/mol
LogP-0.95
Rot. Bonds1

About N-acetyl-2-oxo-1H-pyrazine-3-carboxamide

N-acetyl-2-oxo-1H-pyrazine-3-carboxamide (PubChem CID 22674962) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is N-acetyl-2-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-2-oxo-1H-pyrazine-3-carboxamide
PubChem CID22674962
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC NameN-acetyl-2-oxo-1H-pyrazine-3-carboxamide
SMILESCC(=O)NC(=O)c1ncc[nH]c1=O
InChIInChI=1S/C7H7N3O3/c1-4(11)10-7(13)5-6(12)9-3-2-8-5/h2-3H,1H3,(H,9,12)(H,10,11,13)
InChIKeySFQJBOOHJILGKC-UHFFFAOYSA-N
XLogP-0.95
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-acetyl-2-oxo-1H-pyrazine-3-carboxamide (CID 22674962) is N-acetyl-2-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-acetyl-2-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-acetyl-2-oxo-1H-pyrazine-3-carboxamide is CC(=O)NC(=O)c1ncc[nH]c1=O.
What is the InChIKey of N-acetyl-2-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is SFQJBOOHJILGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c1-4(11)10-7(13)5-6(12)9-3-2-8-5/h2-3H,1H3,(H,9,12)(H,10,11,13).
What are the key properties of N-acetyl-2-oxo-1H-pyrazine-3-carboxamide?
N-acetyl-2-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 181.15 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 22674962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).