2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid

C13H18N2O3 — CID 103356454

IUPAC2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N2CCC(C)(O)C2)n1
InChIInChI=1S/C13H18N2O3/c1-8-6-9(2)14-11(10(8)12(16)17)15-5-4-13(3,18)7-15/h6,18H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyALARZMDFTMCDJQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.36
Rot. Bonds2

About 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid

2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 103356454) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID103356454
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N2CCC(C)(O)C2)n1
InChIInChI=1S/C13H18N2O3/c1-8-6-9(2)14-11(10(8)12(16)17)15-5-4-13(3,18)7-15/h6,18H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyALARZMDFTMCDJQ-UHFFFAOYSA-N
XLogP1.36
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 102744167
2-(3-methoxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 107392995
4,6-dimethyl-2-(5-oxo-1,4-diazepan-1-yl)pyridine-3-carboxylic acid
CID 60706448
2-(4-acetyl-1,4-diazepan-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 60702083
2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide
CID 82994231
2-(4-hydroxy-4-methylazepan-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 107404636
1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 103868258
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbenzoic acid
CID 103356398
2-(3,4-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 55216937
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
CID 81464871
4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid
CID 63626870
2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 62930076

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid (CID 103356454) is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(N2CCC(C)(O)C2)n1.
What is the InChIKey of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is ALARZMDFTMCDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-6-9(2)14-11(10(8)12(16)17)15-5-4-13(3,18)7-15/h6,18H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid?
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 103356454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).