5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide

C26H25Cl3N2O2 — CID 10239221

IUPAC5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCC1CCCCC1
InChIInChI=1S/C26H25Cl3N2O2/c1-30-25(32)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)31-26(22)33-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H,30,32)
InChIKeyZRPASWQEENKWNT-UHFFFAOYSA-N
MW503.86 g/mol
LogP7.69
Rot. Bonds6

About 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide

5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide (PubChem CID 10239221) has the molecular formula C26H25Cl3N2O2 and a molecular weight of 503.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide
PubChem CID10239221
Molecular FormulaC26H25Cl3N2O2
Molecular Weight503.86 g/mol
Exact Mass502.10
IUPAC Name5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCC1CCCCC1
InChIInChI=1S/C26H25Cl3N2O2/c1-30-25(32)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)31-26(22)33-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H,30,32)
InChIKeyZRPASWQEENKWNT-UHFFFAOYSA-N
XLogP7.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.86
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide (CID 10239221) is 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCC1CCCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is ZRPASWQEENKWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl3N2O2/c1-30-25(32)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)31-26(22)33-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H,30,32).
What are the key properties of 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide?
5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide has a molecular weight of 503.86 g/mol, XLogP of 7.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 10239221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).