5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide

C11H16BrN3O3S — CID 63865625

IUPAC5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cncc(Br)c1)NS(C)(=O)=O
InChIInChI=1S/C11H16BrN3O3S/c1-11(2,15-19(3,17)18)7-14-10(16)8-4-9(12)6-13-5-8/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyBJWHGTFEHGYOAG-UHFFFAOYSA-N
MW350.24 g/mol
LogP0.90
Rot. Bonds5

About 5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide

5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide (PubChem CID 63865625) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
PubChem CID63865625
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cncc(Br)c1)NS(C)(=O)=O
InChIInChI=1S/C11H16BrN3O3S/c1-11(2,15-19(3,17)18)7-14-10(16)8-4-9(12)6-13-5-8/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyBJWHGTFEHGYOAG-UHFFFAOYSA-N
XLogP0.90
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 65111151
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153
5-bromo-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 97317759
5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63861191
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63862461
3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 105070214
4-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 63864747
4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 82813067
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 63862460
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
CID 99873716

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide (CID 63865625) is 5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide is CC(C)(CNC(=O)c1cncc(Br)c1)NS(C)(=O)=O.
What is the InChIKey of 5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide?
The InChIKey is BJWHGTFEHGYOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-11(2,15-19(3,17)18)7-14-10(16)8-4-9(12)6-13-5-8/h4-6,15H,7H2,1-3H3,(H,14,16).
What are the key properties of 5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide?
5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide has a molecular weight of 350.24 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 63865625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).