2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide

C11H15BrN2O3S — CID 113255247

IUPAC2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
SMILESCC(C)(CNC(=O)c1ccnc(Br)c1)S(C)(=O)=O
InChIInChI=1S/C11H15BrN2O3S/c1-11(2,18(3,16)17)7-14-10(15)8-4-5-13-9(12)6-8/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyZMPIYLPMXWLFRP-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.40
Rot. Bonds4

About 2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide

2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide (PubChem CID 113255247) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
PubChem CID113255247
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
SMILESCC(C)(CNC(=O)c1ccnc(Br)c1)S(C)(=O)=O
InChIInChI=1S/C11H15BrN2O3S/c1-11(2,18(3,16)17)7-14-10(15)8-4-5-13-9(12)6-8/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyZMPIYLPMXWLFRP-UHFFFAOYSA-N
XLogP1.40
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 113278377
2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 103752009
2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
2-bromo-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 103752757
2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 103756372
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 63862460
2-bromo-N-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 103755270
tert-butyl N-[[4-[[(2-bromopyridine-4-carbonyl)amino]methyl]cyclohexyl]methyl]carbamate
CID 58002056
2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 103755339
methyl 4-[(2-bromopyridine-4-carbonyl)amino]butanoate
CID 103752037

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide (CID 113255247) is 2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide is CC(C)(CNC(=O)c1ccnc(Br)c1)S(C)(=O)=O.
What is the InChIKey of 2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide?
The InChIKey is ZMPIYLPMXWLFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-11(2,18(3,16)17)7-14-10(15)8-4-5-13-9(12)6-8/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide?
2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide has a molecular weight of 335.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 113255247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).