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

C28H29Cl3N2O2 — CID 10152740

IUPAC5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCC1CCCCC1
InChIInChI=1S/C28H29Cl3N2O2/c1-2-14-32-27(34)24-16-23(19-8-10-20(29)11-9-19)26(22-13-12-21(30)15-25(22)31)33-28(24)35-17-18-6-4-3-5-7-18/h8-13,15-16,18H,2-7,14,17H2,1H3,(H,32,34)
InChIKeyHXIISXBVANMJQB-UHFFFAOYSA-N
MW531.91 g/mol
LogP8.47
Rot. Bonds8

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

5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide (PubChem CID 10152740) has the molecular formula C28H29Cl3N2O2 and a molecular weight of 531.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide
PubChem CID10152740
Molecular FormulaC28H29Cl3N2O2
Molecular Weight531.91 g/mol
Exact Mass530.13
IUPAC Name5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCC1CCCCC1
InChIInChI=1S/C28H29Cl3N2O2/c1-2-14-32-27(34)24-16-23(19-8-10-20(29)11-9-19)26(22-13-12-21(30)15-25(22)31)33-28(24)35-17-18-6-4-3-5-7-18/h8-13,15-16,18H,2-7,14,17H2,1H3,(H,32,34)
InChIKeyHXIISXBVANMJQB-UHFFFAOYSA-N
XLogP8.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.91
LogP ≤ 58.47
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-propylpyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide (CID 10152740) is 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide is CCCNC(=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-propylpyridine-3-carboxamide?
The InChIKey is HXIISXBVANMJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl3N2O2/c1-2-14-32-27(34)24-16-23(19-8-10-20(29)11-9-19)26(22-13-12-21(30)15-25(22)31)33-28(24)35-17-18-6-4-3-5-7-18/h8-13,15-16,18H,2-7,14,17H2,1H3,(H,32,34).
What are the key properties of 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide?
5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-6-(2,4-dichlorophenyl)-N-propylpyridine-3-carboxamide has a molecular weight of 531.91 g/mol, XLogP of 8.47, 8 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-propylpyridine-3-carboxamide is sourced from PubChem (CID 10152740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).