5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide

C23H20Cl3N3O — CID 10127677

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cnc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20Cl3N3O/c24-17-6-4-15(5-7-17)20-12-16(23(30)28-29-10-2-1-3-11-29)14-27-22(20)19-9-8-18(25)13-21(19)26/h4-9,12-14H,1-3,10-11H2,(H,28,30)
InChIKeyOVRQUZLLFSEDLA-UHFFFAOYSA-N
MW460.79 g/mol
LogP6.51
Rot. Bonds4

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 10127677) has the molecular formula C23H20Cl3N3O and a molecular weight of 460.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide
PubChem CID10127677
Molecular FormulaC23H20Cl3N3O
Molecular Weight460.79 g/mol
Exact Mass459.07
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cnc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20Cl3N3O/c24-17-6-4-15(5-7-17)20-12-16(23(30)28-29-10-2-1-3-11-29)14-27-22(20)19-9-8-18(25)13-21(19)26/h4-9,12-14H,1-3,10-11H2,(H,28,30)
InChIKeyOVRQUZLLFSEDLA-UHFFFAOYSA-N
XLogP6.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.79
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide (CID 10127677) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide is O=C(NN1CCCCC1)c1cnc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is OVRQUZLLFSEDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3N3O/c24-17-6-4-15(5-7-17)20-12-16(23(30)28-29-10-2-1-3-11-29)14-27-22(20)19-9-8-18(25)13-21(19)26/h4-9,12-14H,1-3,10-11H2,(H,28,30).
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 460.79 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 10127677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).