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

C20H16ClNO3 — CID 11523218

IUPACethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C20H16ClNO3/c1-2-25-20(24)18-16(13-8-10-15(21)11-9-13)12-17(22-19(18)23)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,22,23)
InChIKeyVMSUOGYTOYKQAZ-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.54
Rot. Bonds4

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

ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate (PubChem CID 11523218) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
PubChem CID11523218
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Nameethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C20H16ClNO3/c1-2-25-20(24)18-16(13-8-10-15(21)11-9-13)12-17(22-19(18)23)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,22,23)
InChIKeyVMSUOGYTOYKQAZ-UHFFFAOYSA-N
XLogP4.54
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridine-4-carboxylic acid ethyl ester
CID 2726279
ethyl 5-[(4-chlorophenyl)methyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 70684582
ethyl 5-[(3-chlorophenyl)methyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 70686742
ethyl 4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 13837924
Ethyl 1-benzyl-4-[(2-chlorophenyl)methyl]-5-ethyl-5-methyl-2-oxopyrrole-3-carboxylate
CID 134971311
methyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
CID 11402552
ethyl 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylate
CID 12104680
Methyl 6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylate
CID 69417262
ethyl 6-(4-methylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate
CID 12104682
ethyl 4-(2-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 12104695
ethyl 6-(2,5-dichlorophenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate
CID 12169826
4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 25149312

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate (CID 11523218) is ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is VMSUOGYTOYKQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-2-25-20(24)18-16(13-8-10-15(21)11-9-13)12-17(22-19(18)23)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,22,23).
What are the key properties of ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 353.81 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 11523218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).