4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile

C14H16N4O2 — CID 81060475

IUPAC4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCC1C(=O)NC(=O)CN1c1cc(C)nc(C)c1C#N
InChIInChI=1S/C14H16N4O2/c1-4-11-14(20)17-13(19)7-18(11)12-5-8(2)16-9(3)10(12)6-15/h5,11H,4,7H2,1-3H3,(H,17,19,20)
InChIKeyHIEMXQYOHPBRKM-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.81
Rot. Bonds2

About 4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile

4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060475) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060475
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCC1C(=O)NC(=O)CN1c1cc(C)nc(C)c1C#N
InChIInChI=1S/C14H16N4O2/c1-4-11-14(20)17-13(19)7-18(11)12-5-8(2)16-9(3)10(12)6-15/h5,11H,4,7H2,1-3H3,(H,17,19,20)
InChIKeyHIEMXQYOHPBRKM-UHFFFAOYSA-N
XLogP0.81
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2-methylbenzonitrile
CID 81282167
4-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carbonitrile
CID 66068775
4-(2-amino-4-methylphenyl)-3-ethylpiperazine-2,6-dione
CID 66069644
1-(3-cyano-2,6-dimethyl-4-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 81060702
ethyl 1-(3-cyano-2,6-dimethyl-4-pyridinyl)pyrrolidine-2-carboxylate
CID 81060455
4-(4-amino-2,6-dichlorophenyl)-3-ethylpiperazine-2,6-dione
CID 106890549
4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 80850984
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81060387
1-(3-cyano-2,6-dimethyl-4-pyridinyl)piperidine-2-carboxylic acid
CID 81050172
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-methylbenzoic acid
CID 66067764
1-(3-cyano-2,6-dimethyl-4-pyridinyl)azepane-2-carboxylic acid
CID 81060800
1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81051197

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile (CID 81060475) is 4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile is CCC1C(=O)NC(=O)CN1c1cc(C)nc(C)c1C#N.
What is the InChIKey of 4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is HIEMXQYOHPBRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-4-11-14(20)17-13(19)7-18(11)12-5-8(2)16-9(3)10(12)6-15/h5,11H,4,7H2,1-3H3,(H,17,19,20).
What are the key properties of 4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).