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

C23H19FN2O4 — CID 19116819

IUPAC5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
SMILESCc1c(C(=O)COc2ccc(F)cc2)c(O)n(CCc2ccccc2)c(=O)c1C#N
InChIInChI=1S/C23H19FN2O4/c1-15-19(13-25)22(28)26(12-11-16-5-3-2-4-6-16)23(29)21(15)20(27)14-30-18-9-7-17(24)8-10-18/h2-10,29H,11-12,14H2,1H3
InChIKeySGMBGADMWXZKMD-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.38
Rot. Bonds7

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

5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile (PubChem CID 19116819) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
PubChem CID19116819
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
SMILESCc1c(C(=O)COc2ccc(F)cc2)c(O)n(CCc2ccccc2)c(=O)c1C#N
InChIInChI=1S/C23H19FN2O4/c1-15-19(13-25)22(28)26(12-11-16-5-3-2-4-6-16)23(29)21(15)20(27)14-30-18-9-7-17(24)8-10-18/h2-10,29H,11-12,14H2,1H3
InChIKeySGMBGADMWXZKMD-UHFFFAOYSA-N
XLogP3.38
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.38
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-(2-phenylethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile (CID 19116819) is 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile is Cc1c(C(=O)COc2ccc(F)cc2)c(O)n(CCc2ccccc2)c(=O)c1C#N.
What is the InChIKey of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile?
The InChIKey is SGMBGADMWXZKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-15-19(13-25)22(28)26(12-11-16-5-3-2-4-6-16)23(29)21(15)20(27)14-30-18-9-7-17(24)8-10-18/h2-10,29H,11-12,14H2,1H3.
What are the key properties of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile?
5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile has a molecular weight of 406.41 g/mol, XLogP of 3.38, 7 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-(2-phenylethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 19116819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).