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

C15H26N4O2 — CID 62939165

IUPAC3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C15H26N4O2/c1-6-18(7-2)12(20)8-9-16-13-14(21)19(11-10-17-13)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17)
InChIKeySXRCYQGKJILRQA-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.67
Rot. Bonds6

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

3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide (PubChem CID 62939165) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide
PubChem CID62939165
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C15H26N4O2/c1-6-18(7-2)12(20)8-9-16-13-14(21)19(11-10-17-13)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17)
InChIKeySXRCYQGKJILRQA-UHFFFAOYSA-N
XLogP1.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62940899
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide
CID 62938265
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
1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one
CID 114943089
N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939850
1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one
CID 62938464
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-ethyl-N-methylpropanamide
CID 103111313
N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62734354
1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one
CID 62938441
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 62939947

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide (CID 62939165) is 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide?
The InChIKey is SXRCYQGKJILRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-18(7-2)12(20)8-9-16-13-14(21)19(11-10-17-13)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide?
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 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]-N,N-diethylpropanamide is sourced from PubChem (CID 62939165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).