5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide

C10H13BrN2OS — CID 115759469

IUPAC5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCSC(C)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H13BrN2OS/c1-7(15-2)5-13-10(14)9-4-3-8(11)6-12-9/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyRMYRWRBUVGYINR-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.33
Rot. Bonds4

About 5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide

5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide (PubChem CID 115759469) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
PubChem CID115759469
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCSC(C)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H13BrN2OS/c1-7(15-2)5-13-10(14)9-4-3-8(11)6-12-9/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyRMYRWRBUVGYINR-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

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Related Compounds

5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759495
5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 124510748
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113466852
5-bromo-N-(2-hydroxypentyl)pyridine-2-carboxamide
CID 115700916
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
CID 119526197
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929
6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759392
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide (CID 115759469) is 5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide is CSC(C)CNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide?
The InChIKey is RMYRWRBUVGYINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-7(15-2)5-13-10(14)9-4-3-8(11)6-12-9/h3-4,6-7H,5H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide?
5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-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 5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 115759469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).