5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide

C26H17Cl3F2N2O2 — CID 10174842

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C26H17Cl3F2N2O2/c1-32-25(34)20-12-19(15-3-5-16(27)6-4-15)24(18-8-7-17(28)11-21(18)29)33-26(20)35-13-14-2-9-22(30)23(31)10-14/h2-12H,13H2,1H3,(H,32,34)
InChIKeyFPBZDYQUXHBXBO-UHFFFAOYSA-N
MW533.79 g/mol
LogP7.59
Rot. Bonds6

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide (PubChem CID 10174842) has the molecular formula C26H17Cl3F2N2O2 and a molecular weight of 533.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide
PubChem CID10174842
Molecular FormulaC26H17Cl3F2N2O2
Molecular Weight533.79 g/mol
Exact Mass532.03
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C26H17Cl3F2N2O2/c1-32-25(34)20-12-19(15-3-5-16(27)6-4-15)24(18-8-7-17(28)11-21(18)29)33-26(20)35-13-14-2-9-22(30)23(31)10-14/h2-12H,13H2,1H3,(H,32,34)
InChIKeyFPBZDYQUXHBXBO-UHFFFAOYSA-N
XLogP7.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.79
LogP ≤ 57.59
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)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide (CID 10174842) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide?
The InChIKey is FPBZDYQUXHBXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl3F2N2O2/c1-32-25(34)20-12-19(15-3-5-16(27)6-4-15)24(18-8-7-17(28)11-21(18)29)33-26(20)35-13-14-2-9-22(30)23(31)10-14/h2-12H,13H2,1H3,(H,32,34).
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide has a molecular weight of 533.79 g/mol, XLogP of 7.59, 6 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)-2-[(3,4-difluorophenyl)methoxy]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 10174842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).