1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide

C20H16ClFN2O2S — CID 7598179

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C20H16ClFN2O2S/c1-27-18-10-3-2-9-17(18)23-19(25)13-6-5-11-24(20(13)26)12-14-15(21)7-4-8-16(14)22/h2-11H,12H2,1H3,(H,23,25)
InChIKeyWJAWFXRHNPXYON-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.66
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide (PubChem CID 7598179) has the molecular formula C20H16ClFN2O2S and a molecular weight of 402.88 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide
PubChem CID7598179
Molecular FormulaC20H16ClFN2O2S
Molecular Weight402.88 g/mol
Exact Mass402.06
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C20H16ClFN2O2S/c1-27-18-10-3-2-9-17(18)23-19(25)13-6-5-11-24(20(13)26)12-14-15(21)7-4-8-16(14)22/h2-11H,12H2,1H3,(H,23,25)
InChIKeyWJAWFXRHNPXYON-UHFFFAOYSA-N
XLogP4.66
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide 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 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide (CID 7598179) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide is CSc1ccccc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is WJAWFXRHNPXYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2S/c1-27-18-10-3-2-9-17(18)23-19(25)13-6-5-11-24(20(13)26)12-14-15(21)7-4-8-16(14)22/h2-11H,12H2,1H3,(H,23,25).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7598179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).