2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid

C14H22N2O3 — CID 114156029

IUPAC2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C14H22N2O3/c1-8-7-9(2)15-11(10(8)12(17)18)16-13(3,4)14(5,6)19/h7,19H,1-6H3,(H,15,16)(H,17,18)
InChIKeyXENDBPRSZCJUFN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.36
Rot. Bonds4

About 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid

2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 114156029) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID114156029
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C14H22N2O3/c1-8-7-9(2)15-11(10(8)12(17)18)16-13(3,4)14(5,6)19/h7,19H,1-6H3,(H,15,16)(H,17,18)
InChIKeyXENDBPRSZCJUFN-UHFFFAOYSA-N
XLogP2.36
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-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

4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid
CID 60677525
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 60678598
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61403084
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 114150193
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 106278036
2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678719
2-[(3-amino-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 54896880
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906544
4,6-dimethyl-2-[(1-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 63829797
2-(butan-2-ylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678486
2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61003029

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid (CID 114156029) is 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NC(C)(C)C(C)(C)O)n1.
What is the InChIKey of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is XENDBPRSZCJUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-8-7-9(2)15-11(10(8)12(17)18)16-13(3,4)14(5,6)19/h7,19H,1-6H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 114156029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).