5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide

C25H25Cl3N2O — CID 10217386

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide
SMILESCCCC(CCC)NC(=O)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C25H25Cl3N2O/c1-3-5-19(6-4-2)29-25(31)23-14-13-20(16-7-9-17(26)10-8-16)24(30-23)21-12-11-18(27)15-22(21)28/h7-15,19H,3-6H2,1-2H3,(H,29,31)
InChIKeyJUXNYUMIWDBKRN-UHFFFAOYSA-N
MW475.85 g/mol
LogP8.07
Rot. Bonds8

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide (PubChem CID 10217386) has the molecular formula C25H25Cl3N2O and a molecular weight of 475.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide
PubChem CID10217386
Molecular FormulaC25H25Cl3N2O
Molecular Weight475.85 g/mol
Exact Mass474.10
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide
SMILESCCCC(CCC)NC(=O)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C25H25Cl3N2O/c1-3-5-19(6-4-2)29-25(31)23-14-13-20(16-7-9-17(26)10-8-16)24(30-23)21-12-11-18(27)15-22(21)28/h7-15,19H,3-6H2,1-2H3,(H,29,31)
InChIKeyJUXNYUMIWDBKRN-UHFFFAOYSA-N
XLogP8.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.85
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide (CID 10217386) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide is CCCC(CCC)NC(=O)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide?
The InChIKey is JUXNYUMIWDBKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl3N2O/c1-3-5-19(6-4-2)29-25(31)23-14-13-20(16-7-9-17(26)10-8-16)24(30-23)21-12-11-18(27)15-22(21)28/h7-15,19H,3-6H2,1-2H3,(H,29,31).
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-heptan-4-ylpyridine-2-carboxamide has a molecular weight of 475.85 g/mol, XLogP of 8.07, 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-heptan-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 10217386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).