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

C20H17FN2O2S — CID 26844039

IUPAC1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1
InChIInChI=1S/C20H17FN2O2S/c1-26-18-9-5-4-8-17(18)22-20(25)15-10-11-19(24)23(13-15)12-14-6-2-3-7-16(14)21/h2-11,13H,12H2,1H3,(H,22,25)
InChIKeyFEWMAIQWKGWAJX-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.01
Rot. Bonds5

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

1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide (PubChem CID 26844039) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide
PubChem CID26844039
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1
InChIInChI=1S/C20H17FN2O2S/c1-26-18-9-5-4-8-17(18)22-20(25)15-10-11-19(24)23(13-15)12-14-6-2-3-7-16(14)21/h2-11,13H,12H2,1H3,(H,22,25)
InChIKeyFEWMAIQWKGWAJX-UHFFFAOYSA-N
XLogP4.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide (CID 26844039) is 1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide is CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is FEWMAIQWKGWAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-26-18-9-5-4-8-17(18)22-20(25)15-10-11-19(24)23(13-15)12-14-6-2-3-7-16(14)21/h2-11,13H,12H2,1H3,(H,22,25).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(2-methylsulfanylphenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 26844039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).