6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide

C14H22N2O2S — CID 111460539

IUPAC6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
SMILESCCSc1ccc(C(=O)NCCC(O)C(C)C)cn1
InChIInChI=1S/C14H22N2O2S/c1-4-19-13-6-5-11(9-16-13)14(18)15-8-7-12(17)10(2)3/h5-6,9-10,12,17H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyLFTSKIYSNAELKG-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.33
Rot. Bonds7

About 6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide

6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide (PubChem CID 111460539) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
PubChem CID111460539
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
SMILESCCSc1ccc(C(=O)NCCC(O)C(C)C)cn1
InChIInChI=1S/C14H22N2O2S/c1-4-19-13-6-5-11(9-16-13)14(18)15-8-7-12(17)10(2)3/h5-6,9-10,12,17H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyLFTSKIYSNAELKG-UHFFFAOYSA-N
XLogP2.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480193
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460800
N-(3-hydroxy-4-methylpentyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 111460902
4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide
CID 111461080
3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 111461509
N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 111461088
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide
CID 95980506
N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide
CID 111461166
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746110
N-(3-bromobutyl)-6-methylpyridine-3-carboxamide
CID 114312474

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide?
The IUPAC name of 6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide (CID 111460539) is 6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide?
The canonical SMILES for 6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide is CCSc1ccc(C(=O)NCCC(O)C(C)C)cn1.
What is the InChIKey of 6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide?
The InChIKey is LFTSKIYSNAELKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-19-13-6-5-11(9-16-13)14(18)15-8-7-12(17)10(2)3/h5-6,9-10,12,17H,4,7-8H2,1-3H3,(H,15,18).
What are the key properties of 6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide?
6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide is sourced from PubChem (CID 111460539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).