6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide

C15H24N2O2S — CID 111480193

IUPAC6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
SMILESCCSc1ccc(C(=O)NCC(C)(C)CC(C)O)cn1
InChIInChI=1S/C15H24N2O2S/c1-5-20-13-7-6-12(9-16-13)14(19)17-10-15(3,4)8-11(2)18/h6-7,9,11,18H,5,8,10H2,1-4H3,(H,17,19)
InChIKeyNJXSBWMXMZGTBT-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.72
Rot. Bonds7

About 6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide

6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide (PubChem CID 111480193) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
PubChem CID111480193
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
SMILESCCSc1ccc(C(=O)NCC(C)(C)CC(C)O)cn1
InChIInChI=1S/C15H24N2O2S/c1-5-20-13-7-6-12(9-16-13)14(19)17-10-15(3,4)8-11(2)18/h6-7,9,11,18H,5,8,10H2,1-4H3,(H,17,19)
InChIKeyNJXSBWMXMZGTBT-UHFFFAOYSA-N
XLogP2.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460539
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480160
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
N-(4-hydroxy-2,2-dimethylpentyl)-4-prop-2-ynoxybenzamide
CID 111479961
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
CID 111480649
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111480687
6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103461110
6-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103464702
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111480307
5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 111480323
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide
CID 95980506

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide?
The IUPAC name of 6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide (CID 111480193) is 6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide?
The canonical SMILES for 6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide is CCSc1ccc(C(=O)NCC(C)(C)CC(C)O)cn1.
What is the InChIKey of 6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide?
The InChIKey is NJXSBWMXMZGTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-20-13-7-6-12(9-16-13)14(19)17-10-15(3,4)8-11(2)18/h6-7,9,11,18H,5,8,10H2,1-4H3,(H,17,19).
What are the key properties of 6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide?
6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide is sourced from PubChem (CID 111480193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).