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

C11H18N4O2 — CID 62940899

IUPAC3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
SMILESCC(C)(C)n1ccnc(NCCC(N)=O)c1=O
InChIInChI=1S/C11H18N4O2/c1-11(2,3)15-7-6-14-9(10(15)17)13-5-4-8(12)16/h6-7H,4-5H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyMGRJHVKRIVWNQS-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.29
Rot. Bonds4

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

3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide (PubChem CID 62940899) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
PubChem CID62940899
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
SMILESCC(C)(C)n1ccnc(NCCC(N)=O)c1=O
InChIInChI=1S/C11H18N4O2/c1-11(2,3)15-7-6-14-9(10(15)17)13-5-4-8(12)16/h6-7H,4-5H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyMGRJHVKRIVWNQS-UHFFFAOYSA-N
XLogP0.29
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide
CID 62939165
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
CID 62938610
5-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 104683131
N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939850
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide
CID 62938265
1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one
CID 62938441
3-[3-(2-aminoethoxy)propylamino]-1-tert-butylpyrazin-2-one
CID 106308349
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433
3-[(2-amino-3-hydroxybutyl)amino]-1-tert-butylpyrazin-2-one
CID 64541943
3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one
CID 63194330
3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one
CID 64549067
4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 62940196

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide?
The IUPAC name of 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide (CID 62940899) is 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide?
The canonical SMILES for 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide is CC(C)(C)n1ccnc(NCCC(N)=O)c1=O.
What is the InChIKey of 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide?
The InChIKey is MGRJHVKRIVWNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)15-7-6-14-9(10(15)17)13-5-4-8(12)16/h6-7H,4-5H2,1-3H3,(H2,12,16)(H,13,14).
What are the key properties of 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide?
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide is sourced from PubChem (CID 62940899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).