5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile

C19H19FN2O4 — CID 19115253

IUPAC5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C(=O)C(C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C19H19FN2O4/c1-4-9-22-18(24)15(10-21)11(2)16(19(22)25)17(23)12(3)26-14-7-5-13(20)6-8-14/h5-8,12,25H,4,9H2,1-3H3
InChIKeyZQYTYRKZMWEDBY-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.93
Rot. Bonds6

About 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile

5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 19115253) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
PubChem CID19115253
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C(=O)C(C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C19H19FN2O4/c1-4-9-22-18(24)15(10-21)11(2)16(19(22)25)17(23)12(3)26-14-7-5-13(20)6-8-14/h5-8,12,25H,4,9H2,1-3H3
InChIKeyZQYTYRKZMWEDBY-UHFFFAOYSA-N
XLogP2.93
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile (CID 19115253) is 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(C(=O)C(C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O.
What is the InChIKey of 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is ZQYTYRKZMWEDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-4-9-22-18(24)15(10-21)11(2)16(19(22)25)17(23)12(3)26-14-7-5-13(20)6-8-14/h5-8,12,25H,4,9H2,1-3H3.
What are the key properties of 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 358.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 19115253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).