4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione

C13H16N4O3 — CID 81245392

IUPAC4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cnc(C)cc1N
InChIInChI=1S/C13H16N4O3/c1-3-10-12(19)16-11(18)6-17(10)13(20)8-5-15-7(2)4-9(8)14/h4-5,10H,3,6H2,1-2H3,(H2,14,15)(H,16,18,19)
InChIKeyHZEGJSDGYPOORU-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.15
Rot. Bonds2

About 4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione

4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione (PubChem CID 81245392) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
PubChem CID81245392
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cnc(C)cc1N
InChIInChI=1S/C13H16N4O3/c1-3-10-12(19)16-11(18)6-17(10)13(20)8-5-15-7(2)4-9(8)14/h4-5,10H,3,6H2,1-2H3,(H2,14,15)(H,16,18,19)
InChIKeyHZEGJSDGYPOORU-UHFFFAOYSA-N
XLogP-0.15
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245317
4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069864
3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
CID 66067067
3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione
CID 66068909
4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 82813907
4-(3-amino-4-fluorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067509
4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
CID 81241204
3-ethyl-4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)piperazin-2-one
CID 81249127
4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66067221
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737
3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione
CID 104639186
3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973136

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione (CID 81245392) is 4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1cnc(C)cc1N.
What is the InChIKey of 4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is HZEGJSDGYPOORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-3-10-12(19)16-11(18)6-17(10)13(20)8-5-15-7(2)4-9(8)14/h4-5,10H,3,6H2,1-2H3,(H2,14,15)(H,16,18,19).
What are the key properties of 4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione?
4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 276.30 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 81245392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).