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

C23H18ClFN2O4 — CID 19117811

IUPAC5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)C(C)Oc2ccccc2Cl)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N
InChIInChI=1S/C23H18ClFN2O4/c1-13-17(11-26)22(29)27(12-15-7-9-16(25)10-8-15)23(30)20(13)21(28)14(2)31-19-6-4-3-5-18(19)24/h3-10,14,30H,12H2,1-2H3
InChIKeyKCJJPSVIXVYAGM-UHFFFAOYSA-N
MW440.86 g/mol
LogP4.22
Rot. Bonds6

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

5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19117811) has the molecular formula C23H18ClFN2O4 and a molecular weight of 440.86 g/mol. Its IUPAC name is 5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19117811
Molecular FormulaC23H18ClFN2O4
Molecular Weight440.86 g/mol
Exact Mass440.09
IUPAC Name5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)C(C)Oc2ccccc2Cl)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N
InChIInChI=1S/C23H18ClFN2O4/c1-13-17(11-26)22(29)27(12-15-7-9-16(25)10-8-15)23(30)20(13)21(28)14(2)31-19-6-4-3-5-18(19)24/h3-10,14,30H,12H2,1-2H3
InChIKeyKCJJPSVIXVYAGM-UHFFFAOYSA-N
XLogP4.22
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.86
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19117811) is 5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)C(C)Oc2ccccc2Cl)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N.
What is the InChIKey of 5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is KCJJPSVIXVYAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O4/c1-13-17(11-26)22(29)27(12-15-7-9-16(25)10-8-15)23(30)20(13)21(28)14(2)31-19-6-4-3-5-18(19)24/h3-10,14,30H,12H2,1-2H3.
What are the key properties of 5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 440.86 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenoxy)propanoyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19117811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).