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

C20H21FN2O4 — CID 19115280

IUPAC5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C(=O)C(CC)Oc2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C20H21FN2O4/c1-4-10-23-19(25)15(11-22)12(3)17(20(23)26)18(24)16(5-2)27-14-8-6-13(21)7-9-14/h6-9,16,26H,4-5,10H2,1-3H3
InChIKeyLOMUOANBSLNAJX-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.32
Rot. Bonds7

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

5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 19115280) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
PubChem CID19115280
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C(=O)C(CC)Oc2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C20H21FN2O4/c1-4-10-23-19(25)15(11-22)12(3)17(20(23)26)18(24)16(5-2)27-14-8-6-13(21)7-9-14/h6-9,16,26H,4-5,10H2,1-3H3
InChIKeyLOMUOANBSLNAJX-UHFFFAOYSA-N
XLogP3.32
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.32
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)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile (CID 19115280) is 5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(C(=O)C(CC)Oc2ccc(F)cc2)c(C)c(C#N)c1=O.
What is the InChIKey of 5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is LOMUOANBSLNAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-4-10-23-19(25)15(11-22)12(3)17(20(23)26)18(24)16(5-2)27-14-8-6-13(21)7-9-14/h6-9,16,26H,4-5,10H2,1-3H3.
What are the key properties of 5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile?
5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 372.40 g/mol, XLogP of 3.32, 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)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 19115280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).