6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid

C14H20N2O2 — CID 151776724

IUPAC6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESCCCCc1ccc(C(=O)O)c(N2CCCC2)n1
InChIInChI=1S/C14H20N2O2/c1-2-3-6-11-7-8-12(14(17)18)13(15-11)16-9-4-5-10-16/h7-8H,2-6,9-10H2,1H3,(H,17,18)
InChIKeyRTSSFLWBGSGGEK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.72
Rot. Bonds5

About 6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid

6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid (PubChem CID 151776724) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
PubChem CID151776724
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESCCCCc1ccc(C(=O)O)c(N2CCCC2)n1
InChIInChI=1S/C14H20N2O2/c1-2-3-6-11-7-8-12(14(17)18)13(15-11)16-9-4-5-10-16/h7-8H,2-6,9-10H2,1H3,(H,17,18)
InChIKeyRTSSFLWBGSGGEK-UHFFFAOYSA-N
XLogP2.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 62710173
5-butyl-4-methoxy-6-piperidin-1-ylpyridine-2-carboxylic acid
CID 21490902
2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid
CID 175884373
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
3-pyrrolidin-1-ylpyridazine-4-carboxylic acid
CID 80517688
6-butyl-3-[N'-(methylamino)carbamimidoyl]pyridine-2-carboxylic acid
CID 54070992
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 82169279
6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380066
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-6-methylpyridine-3-carboxylic acid
CID 72941267
2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214925
4,6-dibutylbenzene-1,3-dicarboxylic acid
CID 139637590
2-(4-ethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214932

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid (CID 151776724) is 6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid is CCCCc1ccc(C(=O)O)c(N2CCCC2)n1.
What is the InChIKey of 6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is RTSSFLWBGSGGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-6-11-7-8-12(14(17)18)13(15-11)16-9-4-5-10-16/h7-8H,2-6,9-10H2,1H3,(H,17,18).
What are the key properties of 6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 151776724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).