5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid

C13H16N2O3 — CID 54885795

IUPAC5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCCC1CCCN1C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H16N2O3/c1-2-10-4-3-7-15(10)12(16)9-5-6-11(13(17)18)14-8-9/h5-6,8,10H,2-4,7H2,1H3,(H,17,18)
InChIKeyDJJFTNPFTJFUJV-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.79
Rot. Bonds3

About 5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid

5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 54885795) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID54885795
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCCC1CCCN1C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H16N2O3/c1-2-10-4-3-7-15(10)12(16)9-5-6-11(13(17)18)14-8-9/h5-6,8,10H,2-4,7H2,1H3,(H,17,18)
InChIKeyDJJFTNPFTJFUJV-UHFFFAOYSA-N
XLogP1.79
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63971232
5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124698524
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81096017
(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 104691838
(3-bromo-4-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 79458333

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid (CID 54885795) is 5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid is CCC1CCCN1C(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is DJJFTNPFTJFUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-10-4-3-7-15(10)12(16)9-5-6-11(13(17)18)14-8-9/h5-6,8,10H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 54885795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).