4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide

C9H13N3O2 — CID 59304307

IUPAC4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1nccn(C)c1=O
InChIInChI=1S/C9H13N3O2/c1-6(2)11-8(13)7-9(14)12(3)5-4-10-7/h4-6H,1-3H3,(H,11,13)
InChIKeyLMVHOKRURIUJOI-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.08
Rot. Bonds2

About 4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide

4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 59304307) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID59304307
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1nccn(C)c1=O
InChIInChI=1S/C9H13N3O2/c1-6(2)11-8(13)7-9(14)12(3)5-4-10-7/h4-6H,1-3H3,(H,11,13)
InChIKeyLMVHOKRURIUJOI-UHFFFAOYSA-N
XLogP-0.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Acetyl-3,4-dihydro-3-oxo-2-pyrazinecarboxamide
CID 22674962
6-Fluoro-3-oxo-4-propan-2-ylpyrazine-2-carboxamide
CID 68039830
N-(2,2-dimethylpropanoyl)-2-oxo-1H-pyrazine-3-carboxamide
CID 22674957
4-propan-2-yl-6,7-dihydro-1H-1,4-diazepin-5-one
CID 58345367
N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide
CID 58949435
4-cyclohexyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide
CID 58988010
N-tert-butyl-4-methyl-3-oxopyrazine-2-carboxamide
CID 59531635
N-methyl-2-oxo-1H-pyrazine-3-carboxamide
CID 67534452
4-(cyclopropylmethyl)-N-ethyl-3-oxopyrazine-2-carboxamide
CID 68259258
N,4-dimethyl-3-oxopyrazine-2-carboxamide
CID 68259259
N-butyl-2-oxo-1H-pyrazine-3-carboxamide
CID 123201302
N-tert-butyl-2-oxo-1H-pyrazine-3-carboxamide
CID 123326527

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide (CID 59304307) is 4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide is CC(C)NC(=O)c1nccn(C)c1=O.
What is the InChIKey of 4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is LMVHOKRURIUJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)11-8(13)7-9(14)12(3)5-4-10-7/h4-6H,1-3H3,(H,11,13).
What are the key properties of 4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide?
4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 59304307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).