4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid

C16H22N2O2 — CID 81244532

IUPAC4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCCC2C2CCCC2)c(C(=O)O)cn1
InChIInChI=1S/C16H22N2O2/c1-11-9-15(13(10-17-11)16(19)20)18-8-4-7-14(18)12-5-2-3-6-12/h9-10,12,14H,2-8H2,1H3,(H,19,20)
InChIKeyZPEJCCVNFDMYSJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.25
Rot. Bonds3

About 4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid

4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid (PubChem CID 81244532) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid
PubChem CID81244532
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCCC2C2CCCC2)c(C(=O)O)cn1
InChIInChI=1S/C16H22N2O2/c1-11-9-15(13(10-17-11)16(19)20)18-8-4-7-14(18)12-5-2-3-6-12/h9-10,12,14H,2-8H2,1H3,(H,19,20)
InChIKeyZPEJCCVNFDMYSJ-UHFFFAOYSA-N
XLogP3.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid (CID 81244532) is 4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid is Cc1cc(N2CCCC2C2CCCC2)c(C(=O)O)cn1.
What is the InChIKey of 4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is ZPEJCCVNFDMYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-9-15(13(10-17-11)16(19)20)18-8-4-7-14(18)12-5-2-3-6-12/h9-10,12,14H,2-8H2,1H3,(H,19,20).
What are the key properties of 4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid?
4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).