N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide

C25H17Cl3N2O — CID 10151837

IUPACN-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C25H17Cl3N2O/c26-18-8-6-17(7-9-18)20-12-13-23(25(31)29-15-16-4-2-1-3-5-16)30-24(20)21-11-10-19(27)14-22(21)28/h1-14H,15H2,(H,29,31)
InChIKeyMLZSFBBPARUGFA-UHFFFAOYSA-N
MW467.78 g/mol
LogP7.31
Rot. Bonds5

About N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide

N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide (PubChem CID 10151837) has the molecular formula C25H17Cl3N2O and a molecular weight of 467.78 g/mol. Its IUPAC name is N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide
PubChem CID10151837
Molecular FormulaC25H17Cl3N2O
Molecular Weight467.78 g/mol
Exact Mass466.04
IUPAC NameN-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C25H17Cl3N2O/c26-18-8-6-17(7-9-18)20-12-13-23(25(31)29-15-16-4-2-1-3-5-16)30-24(20)21-11-10-19(27)14-22(21)28/h1-14H,15H2,(H,29,31)
InChIKeyMLZSFBBPARUGFA-UHFFFAOYSA-N
XLogP7.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.78
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide (CID 10151837) is N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide is O=C(NCc1ccccc1)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The InChIKey is MLZSFBBPARUGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl3N2O/c26-18-8-6-17(7-9-18)20-12-13-23(25(31)29-15-16-4-2-1-3-5-16)30-24(20)21-11-10-19(27)14-22(21)28/h1-14H,15H2,(H,29,31).
What are the key properties of N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide has a molecular weight of 467.78 g/mol, XLogP of 7.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 10151837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).