5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide

C12H18N2OS — CID 975238

IUPAC5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide
SMILESCCSc1nc(C)c(CC)c(C)c1C(N)=O
InChIInChI=1S/C12H18N2OS/c1-5-9-7(3)10(11(13)15)12(16-6-2)14-8(9)4/h5-6H2,1-4H3,(H2,13,15)
InChIKeyXWJPWGGSJKMVLO-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.47
Rot. Bonds4

About 5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide

5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide (PubChem CID 975238) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide
PubChem CID975238
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide
SMILESCCSc1nc(C)c(CC)c(C)c1C(N)=O
InChIInChI=1S/C12H18N2OS/c1-5-9-7(3)10(11(13)15)12(16-6-2)14-8(9)4/h5-6H2,1-4H3,(H2,13,15)
InChIKeyXWJPWGGSJKMVLO-UHFFFAOYSA-N
XLogP2.47
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide (CID 975238) is 5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide is CCSc1nc(C)c(CC)c(C)c1C(N)=O.
What is the InChIKey of 5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is XWJPWGGSJKMVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-5-9-7(3)10(11(13)15)12(16-6-2)14-8(9)4/h5-6H2,1-4H3,(H2,13,15).
What are the key properties of 5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide?
5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-ethylsulfanyl-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 975238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).