4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide

C9H12ClN3O2 — CID 114561776

IUPAC4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1ccnc(Cl)c1=O
InChIInChI=1S/C9H12ClN3O2/c1-11-7(14)3-2-5-13-6-4-12-8(10)9(13)15/h4,6H,2-3,5H2,1H3,(H,11,14)
InChIKeySPKJMZZJDOAEDP-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.42
Rot. Bonds4

About 4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide

4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide (PubChem CID 114561776) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide
PubChem CID114561776
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1ccnc(Cl)c1=O
InChIInChI=1S/C9H12ClN3O2/c1-11-7(14)3-2-5-13-6-4-12-8(10)9(13)15/h4,6H,2-3,5H2,1H3,(H,11,14)
InChIKeySPKJMZZJDOAEDP-UHFFFAOYSA-N
XLogP0.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide 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

4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114583147
4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114585353
N-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide
CID 130571190
3-chloro-1-pent-4-ynylpyrazin-2-one
CID 114561564
3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one
CID 114561830
N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide
CID 62325583
2-(2-formylimidazol-1-yl)-N-methylacetamide
CID 62222272
2-(3-chloro-2-oxopyrazin-1-yl)-N-(2-methylphenyl)acetamide
CID 114561768
4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide
CID 10756895
4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-methylbutanamide
CID 10609176
methyl 4-(2-formylimidazol-1-yl)butanoate
CID 62223157
3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one
CID 114561487

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide (CID 114561776) is 4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide is CNC(=O)CCCn1ccnc(Cl)c1=O.
What is the InChIKey of 4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide?
The InChIKey is SPKJMZZJDOAEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-11-7(14)3-2-5-13-6-4-12-8(10)9(13)15/h4,6H,2-3,5H2,1H3,(H,11,14).
What are the key properties of 4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide?
4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide has a molecular weight of 229.67 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 114561776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).