4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide

C19H22N2O2S — CID 972613

IUPAC4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(SCC(=O)c2cc(C)c(C)cc2C)n1
InChIInChI=1S/C19H22N2O2S/c1-10-6-12(3)15(8-11(10)2)16(22)9-24-19-17(18(20)23)13(4)7-14(5)21-19/h6-8H,9H2,1-5H3,(H2,20,23)
InChIKeyKRDFYTGEIMUNHM-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.70
Rot. Bonds5

About 4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide

4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide (PubChem CID 972613) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide
PubChem CID972613
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(SCC(=O)c2cc(C)c(C)cc2C)n1
InChIInChI=1S/C19H22N2O2S/c1-10-6-12(3)15(8-11(10)2)16(22)9-24-19-17(18(20)23)13(4)7-14(5)21-19/h6-8H,9H2,1-5H3,(H2,20,23)
InChIKeyKRDFYTGEIMUNHM-UHFFFAOYSA-N
XLogP3.70
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide (CID 972613) is 4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(SCC(=O)c2cc(C)c(C)cc2C)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is KRDFYTGEIMUNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-10-6-12(3)15(8-11(10)2)16(22)9-24-19-17(18(20)23)13(4)7-14(5)21-19/h6-8H,9H2,1-5H3,(H2,20,23).
What are the key properties of 4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide?
4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 972613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).