ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate

C20H17NO3 — CID 15073235

IUPACethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccccc2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C20H17NO3/c1-2-24-20(23)17-14-21(16-11-7-4-8-12-16)18(13-19(17)22)15-9-5-3-6-10-15/h3-14H,2H2,1H3
InChIKeyHWENOVCBKAFROD-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.68
Rot. Bonds4

About ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate

ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate (PubChem CID 15073235) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate
PubChem CID15073235
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Nameethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccccc2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C20H17NO3/c1-2-24-20(23)17-14-21(16-11-7-4-8-12-16)18(13-19(17)22)15-9-5-3-6-10-15/h3-14H,2H2,1H3
InChIKeyHWENOVCBKAFROD-UHFFFAOYSA-N
XLogP3.68
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate (CID 15073235) is ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate is CCOC(=O)c1cn(-c2ccccc2)c(-c2ccccc2)cc1=O.
What is the InChIKey of ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate?
The InChIKey is HWENOVCBKAFROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-2-24-20(23)17-14-21(16-11-7-4-8-12-16)18(13-19(17)22)15-9-5-3-6-10-15/h3-14H,2H2,1H3.
What are the key properties of ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate?
ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1,6-diphenylpyridine-3-carboxylate is sourced from PubChem (CID 15073235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).