ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate

C26H20Cl2N2O2 — CID 57393375

IUPACethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C26H20Cl2N2O2/c1-2-32-26(31)24-22(17-8-10-19(27)11-9-17)16-23(18-6-4-3-5-7-18)30-25(24)29-21-14-12-20(28)13-15-21/h3-16H,2H2,1H3,(H,29,30)
InChIKeyBTOASVMPHDIDGM-UHFFFAOYSA-N
MW463.36 g/mol
LogP7.64
Rot. Bonds6

About ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate

ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate (PubChem CID 57393375) has the molecular formula C26H20Cl2N2O2 and a molecular weight of 463.36 g/mol. Its IUPAC name is ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate
PubChem CID57393375
Molecular FormulaC26H20Cl2N2O2
Molecular Weight463.36 g/mol
Exact Mass462.09
IUPAC Nameethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C26H20Cl2N2O2/c1-2-32-26(31)24-22(17-8-10-19(27)11-9-17)16-23(18-6-4-3-5-7-18)30-25(24)29-21-14-12-20(28)13-15-21/h3-16H,2H2,1H3,(H,29,30)
InChIKeyBTOASVMPHDIDGM-UHFFFAOYSA-N
XLogP7.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.36
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate (CID 57393375) is ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1Nc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate?
The InChIKey is BTOASVMPHDIDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O2/c1-2-32-26(31)24-22(17-8-10-19(27)11-9-17)16-23(18-6-4-3-5-7-18)30-25(24)29-21-14-12-20(28)13-15-21/h3-16H,2H2,1H3,(H,29,30).
What are the key properties of ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate?
ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate has a molecular weight of 463.36 g/mol, XLogP of 7.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloroanilino)-4-(4-chlorophenyl)-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 57393375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).