2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid

C13H18N2O2 — CID 63219009

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CCCC2(C)C)n1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-10(12(16)17)11(14-9)15-8-4-7-13(15,2)3/h5-6H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyZXVQAKUQDAOUIZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.47
Rot. Bonds2

About 2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid

2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid (PubChem CID 63219009) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid
PubChem CID63219009
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CCCC2(C)C)n1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-10(12(16)17)11(14-9)15-8-4-7-13(15,2)3/h5-6H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyZXVQAKUQDAOUIZ-UHFFFAOYSA-N
XLogP2.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 62930201
6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62701810
2-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 56757377
4-bromo-2-(2,2-dimethylpyrrolidin-1-yl)benzoic acid
CID 63219556
2-[4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 56748458
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-6-methylpyridine-3-carboxylic acid
CID 72941267
4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 162361619
6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid
CID 55142313
2-(3,5-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 62710003
3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid
CID 63219008
2-(2,2-dimethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877112
4-(2,2-dimethylpyrrolidin-1-yl)benzoic acid
CID 63219460

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid (CID 63219009) is 2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N2CCCC2(C)C)n1.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is ZXVQAKUQDAOUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-6-10(12(16)17)11(14-9)15-8-4-7-13(15,2)3/h5-6H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid?
2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 63219009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).