N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide

C7H6BrN3O3 — CID 45255416

IUPACN-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide
SMILESCC(=O)NC(=O)c1nc(Br)c[nH]c1=O
InChIInChI=1S/C7H6BrN3O3/c1-3(12)10-7(14)5-6(13)9-2-4(8)11-5/h2H,1H3,(H,9,13)(H,10,12,14)
InChIKeyYFTFKGLKTFGAGK-UHFFFAOYSA-N
MW260.05 g/mol
LogP-0.19
Rot. Bonds1

About N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide

N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide (PubChem CID 45255416) has the molecular formula C7H6BrN3O3 and a molecular weight of 260.05 g/mol. Its IUPAC name is N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide
PubChem CID45255416
Molecular FormulaC7H6BrN3O3
Molecular Weight260.05 g/mol
Exact Mass258.96
IUPAC NameN-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide
SMILESCC(=O)NC(=O)c1nc(Br)c[nH]c1=O
InChIInChI=1S/C7H6BrN3O3/c1-3(12)10-7(14)5-6(13)9-2-4(8)11-5/h2H,1H3,(H,9,13)(H,10,12,14)
InChIKeyYFTFKGLKTFGAGK-UHFFFAOYSA-N
XLogP-0.19
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide (CID 45255416) is N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide is CC(=O)NC(=O)c1nc(Br)c[nH]c1=O.
What is the InChIKey of N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is YFTFKGLKTFGAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O3/c1-3(12)10-7(14)5-6(13)9-2-4(8)11-5/h2H,1H3,(H,9,13)(H,10,12,14).
What are the key properties of N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide?
N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 260.05 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-5-bromo-2-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 45255416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).