3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione

C13H14N4O3 — CID 166452945

IUPAC3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione
SMILESO=C1CN(c2ccc(NC3CCC(=O)NC3=O)cn2)C1
InChIInChI=1S/C13H14N4O3/c18-9-6-17(7-9)11-3-1-8(5-14-11)15-10-2-4-12(19)16-13(10)20/h1,3,5,10,15H,2,4,6-7H2,(H,16,19,20)
InChIKeyWCXYZHRNZHQMLO-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.31
Rot. Bonds3

About 3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione

3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione (PubChem CID 166452945) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione
PubChem CID166452945
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione
SMILESO=C1CN(c2ccc(NC3CCC(=O)NC3=O)cn2)C1
InChIInChI=1S/C13H14N4O3/c18-9-6-17(7-9)11-3-1-8(5-14-11)15-10-2-4-12(19)16-13(10)20/h1,3,5,10,15H,2,4,6-7H2,(H,16,19,20)
InChIKeyWCXYZHRNZHQMLO-UHFFFAOYSA-N
XLogP-0.31
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione with MolForge

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Related Compounds

1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde
CID 167282536
3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione
CID 176705444
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146523656
3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
CID 156515927
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
N-(2,6-dioxopiperidin-3-yl)-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide
CID 176705465
3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione
CID 166117145
3-[4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)anilino]piperidine-2,6-dione
CID 170749022
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-(4-ethynylanilino)piperidine-2,6-dione
CID 170917477
potassium 3-(anilino)piperidine-2,6-dione
CID 169190282
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione (CID 166452945) is 3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione is O=C1CN(c2ccc(NC3CCC(=O)NC3=O)cn2)C1.
What is the InChIKey of 3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione?
The InChIKey is WCXYZHRNZHQMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-9-6-17(7-9)11-3-1-8(5-14-11)15-10-2-4-12(19)16-13(10)20/h1,3,5,10,15H,2,4,6-7H2,(H,16,19,20).
What are the key properties of 3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione?
3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione has a molecular weight of 274.28 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione is sourced from PubChem (CID 166452945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).