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

C18H17FN2O4 — CID 19115015

IUPAC5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCC(Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n(C)c1O
InChIInChI=1S/C18H17FN2O4/c1-4-13(25-14-8-6-5-7-12(14)19)16(22)15-10(2)11(9-20)17(23)21(3)18(15)24/h5-8,13,24H,4H2,1-3H3
InChIKeyYQIUPCFHEVQQOL-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.45
Rot. Bonds5

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

5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115015) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID19115015
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCC(Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n(C)c1O
InChIInChI=1S/C18H17FN2O4/c1-4-13(25-14-8-6-5-7-12(14)19)16(22)15-10(2)11(9-20)17(23)21(3)18(15)24/h5-8,13,24H,4H2,1-3H3
InChIKeyYQIUPCFHEVQQOL-UHFFFAOYSA-N
XLogP2.45
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.45
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-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 19115015) is 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is CCC(Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n(C)c1O.
What is the InChIKey of 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is YQIUPCFHEVQQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-4-13(25-14-8-6-5-7-12(14)19)16(22)15-10(2)11(9-20)17(23)21(3)18(15)24/h5-8,13,24H,4H2,1-3H3.
What are the key properties of 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 344.34 g/mol, XLogP of 2.45, 5 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-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).