5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid

C11H16ClN3O4S — CID 114919669

IUPAC5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid
SMILESCC(C)(CNc1cc(C(=O)O)c(Cl)cn1)NS(C)(=O)=O
InChIInChI=1S/C11H16ClN3O4S/c1-11(2,15-20(3,18)19)6-14-9-4-7(10(16)17)8(12)5-13-9/h4-5,15H,6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyIKGLQUZUFQEZRV-UHFFFAOYSA-N
MW321.79 g/mol
LogP1.17
Rot. Bonds6

About 5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid

5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid (PubChem CID 114919669) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is 5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid
PubChem CID114919669
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC Name5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid
SMILESCC(C)(CNc1cc(C(=O)O)c(Cl)cn1)NS(C)(=O)=O
InChIInChI=1S/C11H16ClN3O4S/c1-11(2,15-20(3,18)19)6-14-9-4-7(10(16)17)8(12)5-13-9/h4-5,15H,6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyIKGLQUZUFQEZRV-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

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Related Compounds

5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid
CID 114919822
5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 114175613
5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid
CID 107195950
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 106096927
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid
CID 63859490
N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 79633335
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 83269054

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid (CID 114919669) is 5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid is CC(C)(CNc1cc(C(=O)O)c(Cl)cn1)NS(C)(=O)=O.
What is the InChIKey of 5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid?
The InChIKey is IKGLQUZUFQEZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c1-11(2,15-20(3,18)19)6-14-9-4-7(10(16)17)8(12)5-13-9/h4-5,15H,6H2,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid?
5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-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 5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).