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

C12H18N2O3 — CID 81053855

IUPAC4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(NCC(C)CO)c(C(=O)O)c(C)n1
InChIInChI=1S/C12H18N2O3/c1-7(6-15)5-13-10-4-8(2)14-9(3)11(10)12(16)17/h4,7,15H,5-6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyPAIZBTLVEQYRPE-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.44
Rot. Bonds5

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

4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81053855) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81053855
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(NCC(C)CO)c(C(=O)O)c(C)n1
InChIInChI=1S/C12H18N2O3/c1-7(6-15)5-13-10-4-8(2)14-9(3)11(10)12(16)17/h4,7,15H,5-6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyPAIZBTLVEQYRPE-UHFFFAOYSA-N
XLogP1.44
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3-hydroxy-2-methylpropyl)amino]-2,6-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-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053541
4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-3-methylbutanoic acid
CID 81065938
3-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-2-methylpropanoic acid
CID 81050962
2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
CID 81051889
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052116
2,6-dimethyl-4-(2-methylpentan-3-ylamino)pyridine-3-carboxylic acid
CID 81051750
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
2,6-dimethyl-4-(2-methylbutylamino)pyridine-3-carbothioamide
CID 81054421
4-(1-methoxypropan-2-ylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052577
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 114171477

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid (CID 81053855) is 4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(NCC(C)CO)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is PAIZBTLVEQYRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(6-15)5-13-10-4-8(2)14-9(3)11(10)12(16)17/h4,7,15H,5-6H2,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81053855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).