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'}

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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).