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5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile

C21H23FN2O4 — CID 19116082

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
SMILESCCC(Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n(CC(C)C)c1O
InChIInChI=1S/C21H23FN2O4/c1-5-16(28-17-9-7-6-8-15(17)22)19(25)18-13(4)14(10-23)20(26)24(21(18)27)11-12(2)3/h6-9,12,16,27H,5,11H2,1-4H3
InChIKeyZUGCBFLVZNJTHU-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.57
Rot. Bonds7

About 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile

5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile (PubChem CID 19116082) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
PubChem CID19116082
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
SMILESCCC(Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n(CC(C)C)c1O
InChIInChI=1S/C21H23FN2O4/c1-5-16(28-17-9-7-6-8-15(17)22)19(25)18-13(4)14(10-23)20(26)24(21(18)27)11-12(2)3/h6-9,12,16,27H,5,11H2,1-4H3
InChIKeyZUGCBFLVZNJTHU-UHFFFAOYSA-N
XLogP3.57
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile (CID 19116082) is 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile is CCC(Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n(CC(C)C)c1O.
What is the InChIKey of 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is ZUGCBFLVZNJTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-5-16(28-17-9-7-6-8-15(17)22)19(25)18-13(4)14(10-23)20(26)24(21(18)27)11-12(2)3/h6-9,12,16,27H,5,11H2,1-4H3.
What are the key properties of 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 386.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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