2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide

C11H18N4O2 — CID 55156602

IUPAC2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C11H18N4O2/c1-11(2,3)15-6-5-13-9(10(15)17)14-7-8(16)12-4/h5-6H,7H2,1-4H3,(H,12,16)(H,13,14)
InChIKeyNFOCMHYHIXTDRT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.16
Rot. Bonds3

About 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide

2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide (PubChem CID 55156602) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide
PubChem CID55156602
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C11H18N4O2/c1-11(2,3)15-6-5-13-9(10(15)17)14-7-8(16)12-4/h5-6H,7H2,1-4H3,(H,12,16)(H,13,14)
InChIKeyNFOCMHYHIXTDRT-UHFFFAOYSA-N
XLogP0.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide (CID 55156602) is 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide is CNC(=O)CNc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide?
The InChIKey is NFOCMHYHIXTDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)15-6-5-13-9(10(15)17)14-7-8(16)12-4/h5-6H,7H2,1-4H3,(H,12,16)(H,13,14).
What are the key properties of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide?
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide is sourced from PubChem (CID 55156602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).