3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione

C13H16FN3O2 — CID 168793425

IUPAC3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione
SMILESCC(C)c1ncc(NC2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C13H16FN3O2/c1-7(2)12-9(14)5-8(6-15-12)16-10-3-4-11(18)17-13(10)19/h5-7,10,16H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyREFZVSJNTOAYEC-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.56
Rot. Bonds3

About 3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione

3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione (PubChem CID 168793425) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione
PubChem CID168793425
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione
SMILESCC(C)c1ncc(NC2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C13H16FN3O2/c1-7(2)12-9(14)5-8(6-15-12)16-10-3-4-11(18)17-13(10)19/h5-7,10,16H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyREFZVSJNTOAYEC-UHFFFAOYSA-N
XLogP1.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione with MolForge

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Related Compounds

ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
3-[(5-fluoro-3-pyridinyl)amino]piperidine-2,6-dione
CID 166472267
3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
CID 156515927
tert-butyl 4-[5-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]piperidine-1-carboxylate
CID 174216398
3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione
CID 164720806
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperazine-1-carboxylate
CID 166117069
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid
CID 166472355
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid
CID 156505941
ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione
CID 170749748
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione (CID 168793425) is 3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione is CC(C)c1ncc(NC2CCC(=O)NC2=O)cc1F.
What is the InChIKey of 3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione?
The InChIKey is REFZVSJNTOAYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-7(2)12-9(14)5-8(6-15-12)16-10-3-4-11(18)17-13(10)19/h5-7,10,16H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione?
3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione has a molecular weight of 265.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 168793425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).