ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate

C24H24N2O4 — CID 177255893

IUPACethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc(-c2ccc(N3CCOCC3)cc2)[nH]c1=O
InChIInChI=1S/C24H24N2O4/c1-2-30-24(28)22-20(17-6-4-3-5-7-17)16-21(25-23(22)27)18-8-10-19(11-9-18)26-12-14-29-15-13-26/h3-11,16H,2,12-15H2,1H3,(H,25,27)
InChIKeyKSLRRYGPXUMGHK-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.72
Rot. Bonds5

About ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate

ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate (PubChem CID 177255893) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate
PubChem CID177255893
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc(-c2ccc(N3CCOCC3)cc2)[nH]c1=O
InChIInChI=1S/C24H24N2O4/c1-2-30-24(28)22-20(17-6-4-3-5-7-17)16-21(25-23(22)27)18-8-10-19(11-9-18)26-12-14-29-15-13-26/h3-11,16H,2,12-15H2,1H3,(H,25,27)
InChIKeyKSLRRYGPXUMGHK-UHFFFAOYSA-N
XLogP3.72
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate (CID 177255893) is ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)cc(-c2ccc(N3CCOCC3)cc2)[nH]c1=O.
What is the InChIKey of ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is KSLRRYGPXUMGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-2-30-24(28)22-20(17-6-4-3-5-7-17)16-21(25-23(22)27)18-8-10-19(11-9-18)26-12-14-29-15-13-26/h3-11,16H,2,12-15H2,1H3,(H,25,27).
What are the key properties of ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate?
ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-morpholin-4-ylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 177255893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).