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

C18H19FN2O4 — CID 71281712

IUPAC5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C18H19FN2O4/c1-2-11-9-13(18(23)24)17(22)20-16(11)12-3-4-15(14(19)10-12)21-5-7-25-8-6-21/h3-4,9-10H,2,5-8H2,1H3,(H,20,22)(H,23,24)
InChIKeySOBGCJTZLADLHI-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.28
Rot. Bonds4

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

5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281712) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281712
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C18H19FN2O4/c1-2-11-9-13(18(23)24)17(22)20-16(11)12-3-4-15(14(19)10-12)21-5-7-25-8-6-21/h3-4,9-10H,2,5-8H2,1H3,(H,20,22)(H,23,24)
InChIKeySOBGCJTZLADLHI-UHFFFAOYSA-N
XLogP2.28
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281712) is 5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is SOBGCJTZLADLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-2-11-9-13(18(23)24)17(22)20-16(11)12-3-4-15(14(19)10-12)21-5-7-25-8-6-21/h3-4,9-10H,2,5-8H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 346.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).