3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione

C12H15N3O2 — CID 156515927

IUPAC3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
SMILESCCc1ccc(NC2CCC(=O)NC2=O)cn1
InChIInChI=1S/C12H15N3O2/c1-2-8-3-4-9(7-13-8)14-10-5-6-11(16)15-12(10)17/h3-4,7,10,14H,2,5-6H2,1H3,(H,15,16,17)
InChIKeyOMWMLBILFYATGR-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.86
Rot. Bonds3

About 3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione

3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione (PubChem CID 156515927) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
PubChem CID156515927
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
SMILESCCc1ccc(NC2CCC(=O)NC2=O)cn1
InChIInChI=1S/C12H15N3O2/c1-2-8-3-4-9(7-13-8)14-10-5-6-11(16)15-12(10)17/h3-4,7,10,14H,2,5-6H2,1H3,(H,15,16,17)
InChIKeyOMWMLBILFYATGR-UHFFFAOYSA-N
XLogP0.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione
CID 166452945
3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
CID 170749493
3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione
CID 176705444
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione
CID 168793425
3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione
CID 166117145
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde
CID 167282536
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146523656

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione (CID 156515927) is 3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione is CCc1ccc(NC2CCC(=O)NC2=O)cn1.
What is the InChIKey of 3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione?
The InChIKey is OMWMLBILFYATGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-8-3-4-9(7-13-8)14-10-5-6-11(16)15-12(10)17/h3-4,7,10,14H,2,5-6H2,1H3,(H,15,16,17).
What are the key properties of 3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione?
3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 156515927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).