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

C24H21Cl3N2O — CID 10173886

IUPAC5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C24H21Cl3N2O/c25-16-8-6-15(7-9-16)19-12-13-22(24(30)28-18-4-2-1-3-5-18)29-23(19)20-11-10-17(26)14-21(20)27/h6-14,18H,1-5H2,(H,28,30)
InChIKeyFCWFVBTUXIMCLC-UHFFFAOYSA-N
MW459.80 g/mol
LogP7.44
Rot. Bonds4

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

5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide (PubChem CID 10173886) has the molecular formula C24H21Cl3N2O and a molecular weight of 459.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide
PubChem CID10173886
Molecular FormulaC24H21Cl3N2O
Molecular Weight459.80 g/mol
Exact Mass458.07
IUPAC Name5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C24H21Cl3N2O/c25-16-8-6-15(7-9-16)19-12-13-22(24(30)28-18-4-2-1-3-5-18)29-23(19)20-11-10-17(26)14-21(20)27/h6-14,18H,1-5H2,(H,28,30)
InChIKeyFCWFVBTUXIMCLC-UHFFFAOYSA-N
XLogP7.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.80
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide (CID 10173886) is 5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide is O=C(NC1CCCCC1)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The InChIKey is FCWFVBTUXIMCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl3N2O/c25-16-8-6-15(7-9-16)19-12-13-22(24(30)28-18-4-2-1-3-5-18)29-23(19)20-11-10-17(26)14-21(20)27/h6-14,18H,1-5H2,(H,28,30).
What are the key properties of 5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide has a molecular weight of 459.80 g/mol, XLogP of 7.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 10173886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).