methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate

C24H25Cl2NO3 — CID 70230365

About methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 70230365) has the molecular formula C24H25Cl2NO3 and a molecular weight of 446.37 g/mol. Its IUPAC name is methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
• PubChem CID: 70230365
• Molecular Formula: C24H25Cl2NO3
• Molecular Weight: 446.37 g/mol
• Exact Mass: 445.12
• IUPAC Name: methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
• SMILES: COC(=O)C1=CCCN(CCO/C=C(\c2ccccc2C)c2ccc(Cl)cc2Cl)C1
• InChI: InChI=1S/C24H25Cl2NO3/c1-17-6-3-4-8-20(17)22(21-10-9-19(25)14-23(21)26)16-30-13-12-27-11-5-7-18(15-27)24(28)29-2/h3-4,6-10,14,16H,5,11-13,15H2,1-2H3/b22-16+
• InChIKey: AIXHVCHCCRYPIX-CJLVFECKSA-N
• XLogP: 5.51
• TPSA: 38.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.37
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?

The IUPAC name of methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate (CID 70230365) is methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate.

What is the SMILES notation for methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?

The canonical SMILES for methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=CCCN(CCO/C=C(\c2ccccc2C)c2ccc(Cl)cc2Cl)C1.

What is the InChIKey of methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?

The InChIKey is AIXHVCHCCRYPIX-CJLVFECKSA-N. The full InChI is InChI=1S/C24H25Cl2NO3/c1-17-6-3-4-8-20(17)22(21-10-9-19(25)14-23(21)26)16-30-13-12-27-11-5-7-18(15-27)24(28)29-2/h3-4,6-10,14,16H,5,11-13,15H2,1-2H3/b22-16+.

What are the key properties of methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?

methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 446.37 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 70230365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).