ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate

C20H17NO3 — CID 70373640

IUPACethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)N=C(c2ccccc2)CC1=O
InChIInChI=1S/C20H17NO3/c1-2-24-20(23)18-17(22)13-16(14-9-5-3-6-10-14)21-19(18)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyNGKWFOOJCYALFI-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.42
Rot. Bonds4

About ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate

ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate (PubChem CID 70373640) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate
PubChem CID70373640
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Nameethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)N=C(c2ccccc2)CC1=O
InChIInChI=1S/C20H17NO3/c1-2-24-20(23)18-17(22)13-16(14-9-5-3-6-10-14)21-19(18)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyNGKWFOOJCYALFI-UHFFFAOYSA-N
XLogP3.42
TPSA55.73 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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate (CID 70373640) is ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)N=C(c2ccccc2)CC1=O.
What is the InChIKey of ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate?
The InChIKey is NGKWFOOJCYALFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-2-24-20(23)18-17(22)13-16(14-9-5-3-6-10-14)21-19(18)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate?
ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate is sourced from PubChem (CID 70373640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).