6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide

C10H13BrN2OS — CID 115759392

IUPAC6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCSC(C)CNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C10H13BrN2OS/c1-7(15-2)5-13-10(14)8-3-4-9(11)12-6-8/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyNLEQBQUDKJIEDR-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.33
Rot. Bonds4

About 6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide

6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide (PubChem CID 115759392) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
PubChem CID115759392
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCSC(C)CNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C10H13BrN2OS/c1-7(15-2)5-13-10(14)8-3-4-9(11)12-6-8/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyNLEQBQUDKJIEDR-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102904942
6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115669873
6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 66463336
6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide
CID 103719398
N-(3-amino-2-hydroxy-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 106165096
6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide
CID 66462778
5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115759469
4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide
CID 115759502
6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 66464337
5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759495
3-bromo-4-methoxy-N-(2-methylsulfanylpropyl)benzamide
CID 115759468
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113466852

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide (CID 115759392) is 6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide is CSC(C)CNC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide?
The InChIKey is NLEQBQUDKJIEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-7(15-2)5-13-10(14)8-3-4-9(11)12-6-8/h3-4,6-7H,5H2,1-2H3,(H,13,14).
What are the key properties of 6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide?
6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide has a molecular weight of 289.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 115759392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).