6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid

C11H16ClN3O4S — CID 63859490

IUPAC6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)(CNc1nc(Cl)ccc1C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C11H16ClN3O4S/c1-11(2,15-20(3,18)19)6-13-9-7(10(16)17)4-5-8(12)14-9/h4-5,15H,6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyCUWGJBKALMCJII-UHFFFAOYSA-N
MW321.79 g/mol
LogP1.17
Rot. Bonds6

About 6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid

6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid (PubChem CID 63859490) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is 6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid
PubChem CID63859490
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC Name6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)(CNc1nc(Cl)ccc1C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C11H16ClN3O4S/c1-11(2,15-20(3,18)19)6-13-9-7(10(16)17)4-5-8(12)14-9/h4-5,15H,6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyCUWGJBKALMCJII-UHFFFAOYSA-N
XLogP1.17
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid (CID 63859490) is 6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid is CC(C)(CNc1nc(Cl)ccc1C(=O)O)NS(C)(=O)=O.
What is the InChIKey of 6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid?
The InChIKey is CUWGJBKALMCJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c1-11(2,15-20(3,18)19)6-13-9-7(10(16)17)4-5-8(12)14-9/h4-5,15H,6H2,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid?
6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid has a molecular weight of 321.79 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63859490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).