ethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate

C21H19NO3 — CID 134914051

IUPACethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(-c2ccccc2Cc2ccccc2)cc1=O
InChIInChI=1S/C21H19NO3/c1-2-25-21(24)18-14-22-19(13-20(18)23)17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-11,13-14H,2,12H2,1H3,(H,22,23)
InChIKeyIMFJRNPRKPQQJG-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.81
Rot. Bonds5

About ethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate

ethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 134914051) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate
PubChem CID134914051
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Nameethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(-c2ccccc2Cc2ccccc2)cc1=O
InChIInChI=1S/C21H19NO3/c1-2-25-21(24)18-14-22-19(13-20(18)23)17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-11,13-14H,2,12H2,1H3,(H,22,23)
InChIKeyIMFJRNPRKPQQJG-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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Related Compounds

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3-Pyridinecarboxylic acid, 1,4-dihydro-4-oxo-6-phenyl-, ethyl ester
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Ethyl 2-benzyl-6-methyl-4-oxo-1-(2-phenylethyl)-1,4-dihydro-3-pyridinecarboxylate
CID 70704128
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Methyl 6-(3-fluoro-4-methylphenyl)-4-oxo-1,4-dihydropyridine-3-carboxylate
CID 59377635
methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 59377653
methyl 6-(2,4-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 59377659
3-Acetyl-6-methyl-4-(1-naphthylmethylamino)pyran-2-one
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2,6-Diphenyl-3-carboethoxy-4-pyridone
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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate (CID 134914051) is ethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c[nH]c(-c2ccccc2Cc2ccccc2)cc1=O.
What is the InChIKey of ethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is IMFJRNPRKPQQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-2-25-21(24)18-14-22-19(13-20(18)23)17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-11,13-14H,2,12H2,1H3,(H,22,23).
What are the key properties of ethyl 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate?
ethyl 6-(2-benzylphenyl)-4-oxo-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 6-(2-benzylphenyl)-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 134914051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).