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

C14H22N2O3 — CID 114150193

IUPAC2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC(C)(C)CCO)n1
InChIInChI=1S/C14H22N2O3/c1-9-7-10(2)16-12(11(9)13(18)19)15-8-14(3,4)5-6-17/h7,17H,5-6,8H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyFEIQNFUMGLDTES-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.22
Rot. Bonds6

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

2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 114150193) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID114150193
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC(C)(C)CCO)n1
InChIInChI=1S/C14H22N2O3/c1-9-7-10(2)16-12(11(9)13(18)19)15-8-14(3,4)5-6-17/h7,17H,5-6,8H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyFEIQNFUMGLDTES-UHFFFAOYSA-N
XLogP2.22
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 106278036
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61403084
2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678719
4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid
CID 60677525
4,6-dimethyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80522433
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-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 61404479
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 114156029
4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid
CID 62691835
4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 61003705

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid (CID 114150193) is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NCC(C)(C)CCO)n1.
What is the InChIKey of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is FEIQNFUMGLDTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-7-10(2)16-12(11(9)13(18)19)15-8-14(3,4)5-6-17/h7,17H,5-6,8H2,1-4H3,(H,15,16)(H,18,19).
What are the key properties of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 114150193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).