5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide

C11H16BrN3OS — CID 113466911

IUPAC5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCC(C)SC
InChIInChI=1S/C11H16BrN3OS/c1-7(17-3)5-15-11(16)9-4-8(12)6-14-10(9)13-2/h4,6-7H,5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyORJQZOZHGMLBHM-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.37
Rot. Bonds5

About 5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide

5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide (PubChem CID 113466911) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
PubChem CID113466911
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCC(C)SC
InChIInChI=1S/C11H16BrN3OS/c1-7(17-3)5-15-11(16)9-4-8(12)6-14-10(9)13-2/h4,6-7H,5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyORJQZOZHGMLBHM-UHFFFAOYSA-N
XLogP2.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759495
5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047194
5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide
CID 107818051
5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 55046150
5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115759469
5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62166425
5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62185046
5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 55047276
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115604487
5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825797
5-bromo-2-hydrazinyl-N-(2-methoxypropyl)pyridine-3-carboxamide
CID 102700643
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide (CID 113466911) is 5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NCC(C)SC.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide?
The InChIKey is ORJQZOZHGMLBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-7(17-3)5-15-11(16)9-4-8(12)6-14-10(9)13-2/h4,6-7H,5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide?
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 113466911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).