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

C23H19Cl3N2O — CID 10127451

IUPAC5-(4-chlorophenyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C23H19Cl3N2O/c24-15-7-5-14(6-8-15)18-11-12-21(23(29)27-17-3-1-2-4-17)28-22(18)19-10-9-16(25)13-20(19)26/h5-13,17H,1-4H2,(H,27,29)
InChIKeyVBCLNMSUDOZKPN-UHFFFAOYSA-N
MW445.78 g/mol
LogP7.05
Rot. Bonds4

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

5-(4-chlorophenyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide (PubChem CID 10127451) has the molecular formula C23H19Cl3N2O and a molecular weight of 445.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide
PubChem CID10127451
Molecular FormulaC23H19Cl3N2O
Molecular Weight445.78 g/mol
Exact Mass444.06
IUPAC Name5-(4-chlorophenyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C23H19Cl3N2O/c24-15-7-5-14(6-8-15)18-11-12-21(23(29)27-17-3-1-2-4-17)28-22(18)19-10-9-16(25)13-20(19)26/h5-13,17H,1-4H2,(H,27,29)
InChIKeyVBCLNMSUDOZKPN-UHFFFAOYSA-N
XLogP7.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.78
LogP ≤ 57.05
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-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide (CID 10127451) is 5-(4-chlorophenyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide is O=C(NC1CCCC1)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The InChIKey is VBCLNMSUDOZKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl3N2O/c24-15-7-5-14(6-8-15)18-11-12-21(23(29)27-17-3-1-2-4-17)28-22(18)19-10-9-16(25)13-20(19)26/h5-13,17H,1-4H2,(H,27,29).
What are the key properties of 5-(4-chlorophenyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
5-(4-chlorophenyl)-N-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide has a molecular weight of 445.78 g/mol, XLogP of 7.05, 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-cyclopentyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 10127451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).