2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid

C14H20N2O2 — CID 113417713

IUPAC2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(N2CCC(C(C)C)C2)n1
InChIInChI=1S/C14H20N2O2/c1-9(2)11-4-5-16(8-11)13-7-12(14(17)18)6-10(3)15-13/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyGOWCARXZLSKCFK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.57
Rot. Bonds3

About 2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid

2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 113417713) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid
PubChem CID113417713
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(N2CCC(C(C)C)C2)n1
InChIInChI=1S/C14H20N2O2/c1-9(2)11-4-5-16(8-11)13-7-12(14(17)18)6-10(3)15-13/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyGOWCARXZLSKCFK-UHFFFAOYSA-N
XLogP2.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114271864
2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide
CID 114770036
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid
CID 113378557
2-methyl-6-(4-propan-2-ylazepan-1-yl)pyridine-4-carbothioamide
CID 114767724
2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid
CID 114410077
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766561
2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 113418376
2-methyl-6-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 90718373
1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112629787
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid
CID 113378624
2-ethyl-6-(3-ethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 113380150
2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 113378224

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid (CID 113417713) is 2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(N2CCC(C(C)C)C2)n1.
What is the InChIKey of 2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is GOWCARXZLSKCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)11-4-5-16(8-11)13-7-12(14(17)18)6-10(3)15-13/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 113417713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).