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

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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).