3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione

C13H16FN3O3 — CID 99831350

IUPAC3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCn2cc(F)ccc2=O)C1=O
InChIInChI=1S/C13H16FN3O3/c1-13(2)11(19)17(12(20)15-13)7-3-6-16-8-9(14)4-5-10(16)18/h4-5,8H,3,6-7H2,1-2H3,(H,15,20)
InChIKeyADAXASJFQAIZQE-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.71
Rot. Bonds4

About 3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 99831350) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID99831350
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCn2cc(F)ccc2=O)C1=O
InChIInChI=1S/C13H16FN3O3/c1-13(2)11(19)17(12(20)15-13)7-3-6-16-8-9(14)4-5-10(16)18/h4-5,8H,3,6-7H2,1-2H3,(H,15,20)
InChIKeyADAXASJFQAIZQE-UHFFFAOYSA-N
XLogP0.71
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 99831350) is 3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCn2cc(F)ccc2=O)C1=O.
What is the InChIKey of 3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ADAXASJFQAIZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c1-13(2)11(19)17(12(20)15-13)7-3-6-16-8-9(14)4-5-10(16)18/h4-5,8H,3,6-7H2,1-2H3,(H,15,20).
What are the key properties of 3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 281.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-oxo-1-pyridinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 99831350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).