5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid

C16H14N2O4 — CID 82021571

IUPAC5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid
SMILESO=C(O)C1OCC(=O)N(c2ccccc2)C1c1ccncc1
InChIInChI=1S/C16H14N2O4/c19-13-10-22-15(16(20)21)14(11-6-8-17-9-7-11)18(13)12-4-2-1-3-5-12/h1-9,14-15H,10H2,(H,20,21)
InChIKeyFTIQOFJSRZSKOD-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.64
Rot. Bonds3

About 5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid

5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid (PubChem CID 82021571) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid
PubChem CID82021571
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid
SMILESO=C(O)C1OCC(=O)N(c2ccccc2)C1c1ccncc1
InChIInChI=1S/C16H14N2O4/c19-13-10-22-15(16(20)21)14(11-6-8-17-9-7-11)18(13)12-4-2-1-3-5-12/h1-9,14-15H,10H2,(H,20,21)
InChIKeyFTIQOFJSRZSKOD-UHFFFAOYSA-N
XLogP1.64
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid?
The IUPAC name of 5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid (CID 82021571) is 5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid?
The canonical SMILES for 5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid is O=C(O)C1OCC(=O)N(c2ccccc2)C1c1ccncc1.
What is the InChIKey of 5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid?
The InChIKey is FTIQOFJSRZSKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-13-10-22-15(16(20)21)14(11-6-8-17-9-7-11)18(13)12-4-2-1-3-5-12/h1-9,14-15H,10H2,(H,20,21).
What are the key properties of 5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid?
5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid is sourced from PubChem (CID 82021571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).