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

C17H15FN2O4 — CID 19115083

IUPAC1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)COc2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C17H15FN2O4/c1-3-20-16(22)13(8-19)10(2)15(17(20)23)14(21)9-24-12-6-4-11(18)5-7-12/h4-7,23H,3,9H2,1-2H3
InChIKeyZSOHWIIMPMXXHR-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.15
Rot. Bonds5

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

1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115083) has the molecular formula C17H15FN2O4 and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115083
Molecular FormulaC17H15FN2O4
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)COc2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C17H15FN2O4/c1-3-20-16(22)13(8-19)10(2)15(17(20)23)14(21)9-24-12-6-4-11(18)5-7-12/h4-7,23H,3,9H2,1-2H3
InChIKeyZSOHWIIMPMXXHR-UHFFFAOYSA-N
XLogP2.15
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115083) is 1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCn1c(O)c(C(=O)COc2ccc(F)cc2)c(C)c(C#N)c1=O.
What is the InChIKey of 1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is ZSOHWIIMPMXXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-3-20-16(22)13(8-19)10(2)15(17(20)23)14(21)9-24-12-6-4-11(18)5-7-12/h4-7,23H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 330.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).