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

C18H17FN2O4 — CID 19115122

IUPAC1-ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)C(C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C18H17FN2O4/c1-4-21-17(23)14(9-20)10(2)15(18(21)24)16(22)11(3)25-13-7-5-12(19)6-8-13/h5-8,11,24H,4H2,1-3H3
InChIKeyALVRUZIWTCQICT-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.54
Rot. Bonds5

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

1-ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115122) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115122
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name1-ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)C(C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C18H17FN2O4/c1-4-21-17(23)14(9-20)10(2)15(18(21)24)16(22)11(3)25-13-7-5-12(19)6-8-13/h5-8,11,24H,4H2,1-3H3
InChIKeyALVRUZIWTCQICT-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115122) is 1-ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCn1c(O)c(C(=O)C(C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O.
What is the InChIKey of 1-ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is ALVRUZIWTCQICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-4-21-17(23)14(9-20)10(2)15(18(21)24)16(22)11(3)25-13-7-5-12(19)6-8-13/h5-8,11,24H,4H2,1-3H3.
What are the key properties of 1-ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 344.34 g/mol, XLogP of 2.54, 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)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).