1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide

C16H17FN2O2S — CID 172658534

IUPAC1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide
SMILESCSCCNC(=O)c1c(C)ccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H17FN2O2S/c1-11-7-9-19(13-5-3-12(17)4-6-13)16(21)14(11)15(20)18-8-10-22-2/h3-7,9H,8,10H2,1-2H3,(H,18,20)
InChIKeyQJKDDYWUQDAKBH-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.38
Rot. Bonds5

About 1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide

1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide (PubChem CID 172658534) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide
PubChem CID172658534
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide
SMILESCSCCNC(=O)c1c(C)ccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H17FN2O2S/c1-11-7-9-19(13-5-3-12(17)4-6-13)16(21)14(11)15(20)18-8-10-22-2/h3-7,9H,8,10H2,1-2H3,(H,18,20)
InChIKeyQJKDDYWUQDAKBH-UHFFFAOYSA-N
XLogP2.38
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide (CID 172658534) is 1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide is CSCCNC(=O)c1c(C)ccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide?
The InChIKey is QJKDDYWUQDAKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-11-7-9-19(13-5-3-12(17)4-6-13)16(21)14(11)15(20)18-8-10-22-2/h3-7,9H,8,10H2,1-2H3,(H,18,20).
What are the key properties of 1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172658534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).