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

C19H22N2O4 — CID 71284955

IUPAC5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CCCCC3)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H22N2O4/c1-2-14-16(20-18(23)15(17(14)22)19(24)25)12-6-8-13(9-7-12)21-10-4-3-5-11-21/h6-9H,2-5,10-11H2,1H3,(H,24,25)(H2,20,22,23)
InChIKeyHWMIDICAJSZDHE-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.00
Rot. Bonds4

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

5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid (PubChem CID 71284955) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
PubChem CID71284955
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CCCCC3)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H22N2O4/c1-2-14-16(20-18(23)15(17(14)22)19(24)25)12-6-8-13(9-7-12)21-10-4-3-5-11-21/h6-9H,2-5,10-11H2,1H3,(H,24,25)(H2,20,22,23)
InChIKeyHWMIDICAJSZDHE-UHFFFAOYSA-N
XLogP3.00
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid (CID 71284955) is 5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N3CCCCC3)cc2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is HWMIDICAJSZDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-14-16(20-18(23)15(17(14)22)19(24)25)12-6-8-13(9-7-12)21-10-4-3-5-11-21/h6-9H,2-5,10-11H2,1H3,(H,24,25)(H2,20,22,23).
What are the key properties of 5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-oxo-6-(4-piperidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).