5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C19H21FN2O3 — CID 71285299

IUPAC5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCCC2)cc1F
InChIInChI=1S/C19H21FN2O3/c1-2-12-10-15(19(24)25)18(23)21-17(12)14-7-6-13(11-16(14)20)22-8-4-3-5-9-22/h6-7,10-11H,2-5,8-9H2,1H3,(H,21,23)(H,24,25)
InChIKeyKRZWRIMJBBKOSY-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.43
Rot. Bonds4

About 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71285299) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71285299
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCCC2)cc1F
InChIInChI=1S/C19H21FN2O3/c1-2-12-10-15(19(24)25)18(23)21-17(12)14-7-6-13(11-16(14)20)22-8-4-3-5-9-22/h6-7,10-11H,2-5,8-9H2,1H3,(H,21,23)(H,24,25)
InChIKeyKRZWRIMJBBKOSY-UHFFFAOYSA-N
XLogP3.43
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 71285299) is 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCCC2)cc1F.
What is the InChIKey of 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is KRZWRIMJBBKOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-2-12-10-15(19(24)25)18(23)21-17(12)14-7-6-13(11-16(14)20)22-8-4-3-5-9-22/h6-7,10-11H,2-5,8-9H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 344.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71285299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).