6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione

C11H10FN3O3 — CID 168982119

IUPAC6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCn1cc(F)c(N2C(=O)NC3(CC3)C2=O)cc1=O
InChIInChI=1S/C11H10FN3O3/c1-14-5-6(12)7(4-8(14)16)15-9(17)11(2-3-11)13-10(15)18/h4-5H,2-3H2,1H3,(H,13,18)
InChIKeyFMAPLCSFUIIBJG-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.11
Rot. Bonds1

About 6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione

6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 168982119) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID168982119
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCn1cc(F)c(N2C(=O)NC3(CC3)C2=O)cc1=O
InChIInChI=1S/C11H10FN3O3/c1-14-5-6(12)7(4-8(14)16)15-9(17)11(2-3-11)13-10(15)18/h4-5H,2-3H2,1H3,(H,13,18)
InChIKeyFMAPLCSFUIIBJG-UHFFFAOYSA-N
XLogP0.11
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.11
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 6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 168982119) is 6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione is Cn1cc(F)c(N2C(=O)NC3(CC3)C2=O)cc1=O.
What is the InChIKey of 6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is FMAPLCSFUIIBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-14-5-6(12)7(4-8(14)16)15-9(17)11(2-3-11)13-10(15)18/h4-5H,2-3H2,1H3,(H,13,18).
What are the key properties of 6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione?
6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 251.22 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 168982119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).