6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

C11H15BrN2O2S — CID 103917016

IUPAC6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O2S/c1-7(9(6-15)17-2)13-11(16)8-4-3-5-10(12)14-8/h3-5,7,9,15H,6H2,1-2H3,(H,13,16)
InChIKeyAPEJAWRHJPMKLO-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.69
Rot. Bonds5

About 6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 103917016) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
PubChem CID103917016
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O2S/c1-7(9(6-15)17-2)13-11(16)8-4-3-5-10(12)14-8/h3-5,7,9,15H,6H2,1-2H3,(H,13,16)
InChIKeyAPEJAWRHJPMKLO-UHFFFAOYSA-N
XLogP1.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
3-amino-2-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150738
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 75384422
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide
CID 103801417
5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 106152400
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103798985
6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
CID 103874025
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809
2,6-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103801255
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
CID 103798681

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (CID 103917016) is 6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is CSC(CO)C(C)NC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is APEJAWRHJPMKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-7(9(6-15)17-2)13-11(16)8-4-3-5-10(12)14-8/h3-5,7,9,15H,6H2,1-2H3,(H,13,16).
What are the key properties of 6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 319.22 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 103917016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).