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

C12H20N4O2 — CID 55155262

IUPAC2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nccn(C(C)C)c1=O
InChIInChI=1S/C12H20N4O2/c1-8(2)15-10(17)7-14-11-12(18)16(9(3)4)6-5-13-11/h5-6,8-9H,7H2,1-4H3,(H,13,14)(H,15,17)
InChIKeyJRAYWRPCGQCGRF-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.76
Rot. Bonds5

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

2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide (PubChem CID 55155262) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide
PubChem CID55155262
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nccn(C(C)C)c1=O
InChIInChI=1S/C12H20N4O2/c1-8(2)15-10(17)7-14-11-12(18)16(9(3)4)6-5-13-11/h5-6,8-9H,7H2,1-4H3,(H,13,14)(H,15,17)
InChIKeyJRAYWRPCGQCGRF-UHFFFAOYSA-N
XLogP0.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide (CID 55155262) is 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1nccn(C(C)C)c1=O.
What is the InChIKey of 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is JRAYWRPCGQCGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)15-10(17)7-14-11-12(18)16(9(3)4)6-5-13-11/h5-6,8-9H,7H2,1-4H3,(H,13,14)(H,15,17).
What are the key properties of 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide?
2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 252.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55155262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).