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

C18H17FN2O4 — CID 19115214

IUPAC5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C(=O)COc2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C18H17FN2O4/c1-3-8-21-17(23)14(9-20)11(2)16(18(21)24)15(22)10-25-13-6-4-12(19)5-7-13/h4-7,24H,3,8,10H2,1-2H3
InChIKeyOHEPHSXQNBXEKN-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.54
Rot. Bonds6

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

5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 19115214) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
PubChem CID19115214
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C(=O)COc2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C18H17FN2O4/c1-3-8-21-17(23)14(9-20)11(2)16(18(21)24)15(22)10-25-13-6-4-12(19)5-7-13/h4-7,24H,3,8,10H2,1-2H3
InChIKeyOHEPHSXQNBXEKN-UHFFFAOYSA-N
XLogP2.54
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.54
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)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile (CID 19115214) is 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(C(=O)COc2ccc(F)cc2)c(C)c(C#N)c1=O.
What is the InChIKey of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is OHEPHSXQNBXEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-3-8-21-17(23)14(9-20)11(2)16(18(21)24)15(22)10-25-13-6-4-12(19)5-7-13/h4-7,24H,3,8,10H2,1-2H3.
What are the key properties of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 344.34 g/mol, XLogP of 2.54, 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)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 19115214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).