4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide

C11H18N4O2 — CID 62940193

IUPAC4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide
SMILESCC(C)n1ccnc(NCCCC(N)=O)c1=O
InChIInChI=1S/C11H18N4O2/c1-8(2)15-7-6-14-10(11(15)17)13-5-3-4-9(12)16/h6-8H,3-5H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyLBKFIISJPLTKKS-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.50
Rot. Bonds6

About 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide

4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide (PubChem CID 62940193) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide
PubChem CID62940193
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide
SMILESCC(C)n1ccnc(NCCCC(N)=O)c1=O
InChIInChI=1S/C11H18N4O2/c1-8(2)15-7-6-14-10(11(15)17)13-5-3-4-9(12)16/h6-8H,3-5H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyLBKFIISJPLTKKS-UHFFFAOYSA-N
XLogP0.50
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide?
The IUPAC name of 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide (CID 62940193) is 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide.
What is the SMILES notation for 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide?
The canonical SMILES for 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide is CC(C)n1ccnc(NCCCC(N)=O)c1=O.
What is the InChIKey of 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide?
The InChIKey is LBKFIISJPLTKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(2)15-7-6-14-10(11(15)17)13-5-3-4-9(12)16/h6-8H,3-5H2,1-2H3,(H2,12,16)(H,13,14).
What are the key properties of 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide?
4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide has a molecular weight of 238.29 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanamide is sourced from PubChem (CID 62940193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).