4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione

C12H14N4O3 — CID 81245317

IUPAC4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cnccc1N
InChIInChI=1S/C12H14N4O3/c1-2-9-11(18)15-10(17)6-16(9)12(19)7-5-14-4-3-8(7)13/h3-5,9H,2,6H2,1H3,(H2,13,14)(H,15,17,18)
InChIKeyMMWQWLGHLDWEQL-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.46
Rot. Bonds2

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

4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione (PubChem CID 81245317) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
PubChem CID81245317
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cnccc1N
InChIInChI=1S/C12H14N4O3/c1-2-9-11(18)15-10(17)6-16(9)12(19)7-5-14-4-3-8(7)13/h3-5,9H,2,6H2,1H3,(H2,13,14)(H,15,17,18)
InChIKeyMMWQWLGHLDWEQL-UHFFFAOYSA-N
XLogP-0.46
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245392
4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069864
3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione
CID 66068922
4-(2-bromo-4-chlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 107988303
4-(3-amino-4-fluorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067509
4-(2,3-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069479
3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
CID 66067067
4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66067221
3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione
CID 104639186
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
3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione
CID 66067262

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione (CID 81245317) is 4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1cnccc1N.
What is the InChIKey of 4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is MMWQWLGHLDWEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-2-9-11(18)15-10(17)6-16(9)12(19)7-5-14-4-3-8(7)13/h3-5,9H,2,6H2,1H3,(H2,13,14)(H,15,17,18).
What are the key properties of 4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione?
4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 262.27 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 81245317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).