5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide

C24H23Cl3N2O — CID 10217166

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide
SMILESCCCCCCNC(=O)c1cnc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H23Cl3N2O/c1-2-3-4-5-12-28-24(30)17-13-21(16-6-8-18(25)9-7-16)23(29-15-17)20-11-10-19(26)14-22(20)27/h6-11,13-15H,2-5,12H2,1H3,(H,28,30)
InChIKeyHSDHYQYLBBAZAZ-UHFFFAOYSA-N
MW461.82 g/mol
LogP7.69
Rot. Bonds8

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide (PubChem CID 10217166) has the molecular formula C24H23Cl3N2O and a molecular weight of 461.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide
PubChem CID10217166
Molecular FormulaC24H23Cl3N2O
Molecular Weight461.82 g/mol
Exact Mass460.09
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide
SMILESCCCCCCNC(=O)c1cnc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H23Cl3N2O/c1-2-3-4-5-12-28-24(30)17-13-21(16-6-8-18(25)9-7-16)23(29-15-17)20-11-10-19(26)14-22(20)27/h6-11,13-15H,2-5,12H2,1H3,(H,28,30)
InChIKeyHSDHYQYLBBAZAZ-UHFFFAOYSA-N
XLogP7.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.82
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide (CID 10217166) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide is CCCCCCNC(=O)c1cnc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide?
The InChIKey is HSDHYQYLBBAZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N2O/c1-2-3-4-5-12-28-24(30)17-13-21(16-6-8-18(25)9-7-16)23(29-15-17)20-11-10-19(26)14-22(20)27/h6-11,13-15H,2-5,12H2,1H3,(H,28,30).
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide has a molecular weight of 461.82 g/mol, XLogP of 7.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-hexylpyridine-3-carboxamide is sourced from PubChem (CID 10217166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).