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

C25H25Cl3N2O2 — CID 10289044

IUPAC2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide
SMILESCCCCOc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C(=O)NCCC
InChIInChI=1S/C25H25Cl3N2O2/c1-3-5-13-32-25-21(24(31)29-12-4-2)15-20(16-6-8-17(26)9-7-16)23(30-25)19-11-10-18(27)14-22(19)28/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,29,31)
InChIKeyFQXFBMUSAUCRII-UHFFFAOYSA-N
MW491.85 g/mol
LogP7.69
Rot. Bonds9

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

2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide (PubChem CID 10289044) has the molecular formula C25H25Cl3N2O2 and a molecular weight of 491.85 g/mol. Its IUPAC name is 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide
PubChem CID10289044
Molecular FormulaC25H25Cl3N2O2
Molecular Weight491.85 g/mol
Exact Mass490.10
IUPAC Name2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide
SMILESCCCCOc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C(=O)NCCC
InChIInChI=1S/C25H25Cl3N2O2/c1-3-5-13-32-25-21(24(31)29-12-4-2)15-20(16-6-8-17(26)9-7-16)23(30-25)19-11-10-18(27)14-22(19)28/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,29,31)
InChIKeyFQXFBMUSAUCRII-UHFFFAOYSA-N
XLogP7.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.85
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide 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 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide?
The IUPAC name of 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide (CID 10289044) is 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide is CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C(=O)NCCC.
What is the InChIKey of 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide?
The InChIKey is FQXFBMUSAUCRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl3N2O2/c1-3-5-13-32-25-21(24(31)29-12-4-2)15-20(16-6-8-17(26)9-7-16)23(30-25)19-11-10-18(27)14-22(19)28/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,29,31).
What are the key properties of 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide?
2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide has a molecular weight of 491.85 g/mol, XLogP of 7.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 10289044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).