N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide

C10H13N3O3 — CID 22674957

IUPACN-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)(C)C(=O)NC(=O)c1ncc[nH]c1=O
InChIInChI=1S/C10H13N3O3/c1-10(2,3)9(16)13-8(15)6-7(14)12-5-4-11-6/h4-5H,1-3H3,(H,12,14)(H,13,15,16)
InChIKeyALFFCGYDDYWEBY-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.07
Rot. Bonds1

About N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide

N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide (PubChem CID 22674957) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide
PubChem CID22674957
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)(C)C(=O)NC(=O)c1ncc[nH]c1=O
InChIInChI=1S/C10H13N3O3/c1-10(2,3)9(16)13-8(15)6-7(14)12-5-4-11-6/h4-5H,1-3H3,(H,12,14)(H,13,15,16)
InChIKeyALFFCGYDDYWEBY-UHFFFAOYSA-N
XLogP0.07
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide (CID 22674957) is N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide is CC(C)(C)C(=O)NC(=O)c1ncc[nH]c1=O.
What is the InChIKey of N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is ALFFCGYDDYWEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-10(2,3)9(16)13-8(15)6-7(14)12-5-4-11-6/h4-5H,1-3H3,(H,12,14)(H,13,15,16).
What are the key properties of N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide?
N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 223.23 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 22674957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).