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

C18H20N2O4 — CID 71286112

IUPAC5-ethyl-4-hydroxy-2-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CCCC3)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H20N2O4/c1-2-13-15(19-17(22)14(16(13)21)18(23)24)11-5-7-12(8-6-11)20-9-3-4-10-20/h5-8H,2-4,9-10H2,1H3,(H,23,24)(H2,19,21,22)
InChIKeyDOQPJGRFMXHNOW-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.61
Rot. Bonds4

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

5-ethyl-4-hydroxy-2-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid (PubChem CID 71286112) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
PubChem CID71286112
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name5-ethyl-4-hydroxy-2-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CCCC3)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H20N2O4/c1-2-13-15(19-17(22)14(16(13)21)18(23)24)11-5-7-12(8-6-11)20-9-3-4-10-20/h5-8H,2-4,9-10H2,1H3,(H,23,24)(H2,19,21,22)
InChIKeyDOQPJGRFMXHNOW-UHFFFAOYSA-N
XLogP2.61
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.61
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-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-2-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid (CID 71286112) is 5-ethyl-4-hydroxy-2-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-2-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N3CCCC3)cc2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is DOQPJGRFMXHNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-13-15(19-17(22)14(16(13)21)18(23)24)11-5-7-12(8-6-11)20-9-3-4-10-20/h5-8H,2-4,9-10H2,1H3,(H,23,24)(H2,19,21,22).
What are the key properties of 5-ethyl-4-hydroxy-2-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-2-oxo-6-(4-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.61, 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-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71286112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).