3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid

C12H17ClN2O2 — CID 63958296

IUPAC3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid
SMILESCCC(C)(C)N(C)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C12H17ClN2O2/c1-5-12(2,3)15(4)9-7-6-8(13)10(14-9)11(16)17/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyUWIASJGMJALTND-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.06
Rot. Bonds4

About 3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid

3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid (PubChem CID 63958296) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid
PubChem CID63958296
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid
SMILESCCC(C)(C)N(C)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C12H17ClN2O2/c1-5-12(2,3)15(4)9-7-6-8(13)10(14-9)11(16)17/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyUWIASJGMJALTND-UHFFFAOYSA-N
XLogP3.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid 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

3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 43571486
3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
CID 28996663
3-chloro-6-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-2-carboxylic acid
CID 61452600
3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 60980382
6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid
CID 64584230
3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 79470761
3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418695
2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 63957871
3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid
CID 61439995
3-chloro-6-[ethyl(piperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 61404817
3-chloro-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 54986470
3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid
CID 62982531

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid (CID 63958296) is 3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid is CCC(C)(C)N(C)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is UWIASJGMJALTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-5-12(2,3)15(4)9-7-6-8(13)10(14-9)11(16)17/h6-7H,5H2,1-4H3,(H,16,17).
What are the key properties of 3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid?
3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 256.73 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63958296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).