2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide

C11H18N4O2 — CID 55155261

IUPAC2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nccn(CC)c1=O
InChIInChI=1S/C11H18N4O2/c1-3-5-12-9(16)8-14-10-11(17)15(4-2)7-6-13-10/h6-7H,3-5,8H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyVILUWDDNBWLJFY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.20
Rot. Bonds6

About 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide

2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide (PubChem CID 55155261) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide
PubChem CID55155261
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nccn(CC)c1=O
InChIInChI=1S/C11H18N4O2/c1-3-5-12-9(16)8-14-10-11(17)15(4-2)7-6-13-10/h6-7H,3-5,8H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyVILUWDDNBWLJFY-UHFFFAOYSA-N
XLogP0.20
TPSA76.02 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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide (CID 55155261) is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nccn(CC)c1=O.
What is the InChIKey of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide?
The InChIKey is VILUWDDNBWLJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-5-12-9(16)8-14-10-11(17)15(4-2)7-6-13-10/h6-7H,3-5,8H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide?
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide is sourced from PubChem (CID 55155261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).