5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid

C14H20N2O2 — CID 115491017

IUPAC5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCCC1(CC)CCN(c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H20N2O2/c1-3-14(4-2)7-8-16(10-14)11-5-6-12(13(17)18)15-9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyFTVBONNHUSXGCU-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.80
Rot. Bonds4

About 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid

5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 115491017) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid
PubChem CID115491017
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCCC1(CC)CCN(c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H20N2O2/c1-3-14(4-2)7-8-16(10-14)11-5-6-12(13(17)18)15-9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyFTVBONNHUSXGCU-UHFFFAOYSA-N
XLogP2.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 115489708
(1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83131740
5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 106318842
5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 113321639
(1R)-1-[5-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938741
5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 113321627
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 102933160
methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate
CID 150740136
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
CID 80517336
5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid (CID 115491017) is 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid is CCC1(CC)CCN(c2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is FTVBONNHUSXGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-14(4-2)7-8-16(10-14)11-5-6-12(13(17)18)15-9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 115491017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).