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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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).