ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate

C21H19NO3 — CID 70684577

IUPACethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2)c(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C21H19NO3/c1-2-25-21(24)18-14-17(13-15-9-5-3-6-10-15)20(23)22-19(18)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,22,23)
InChIKeyIWLNQTIFOLJENV-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.81
Rot. Bonds5

About ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate

ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate (PubChem CID 70684577) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
PubChem CID70684577
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Nameethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2)c(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C21H19NO3/c1-2-25-21(24)18-14-17(13-15-9-5-3-6-10-15)20(23)22-19(18)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,22,23)
InChIKeyIWLNQTIFOLJENV-UHFFFAOYSA-N
XLogP3.81
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate (CID 70684577) is ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(Cc2ccccc2)c(=O)[nH]c1-c1ccccc1.
What is the InChIKey of ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is IWLNQTIFOLJENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-2-25-21(24)18-14-17(13-15-9-5-3-6-10-15)20(23)22-19(18)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,22,23).
What are the key properties of ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate?
ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 70684577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).