5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide

C26H17Cl3F2N2O2 — CID 91443062

IUPAC5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(CC(Oc2ccc(F)c(F)c2)c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H17Cl3F2N2O2/c27-16-3-1-14(2-4-16)20-9-15(26(32)34)13-33-24(20)12-25(19-7-5-17(28)10-21(19)29)35-18-6-8-22(30)23(31)11-18/h1-11,13,25H,12H2,(H2,32,34)
InChIKeyTXUUNGGWGAJNPK-UHFFFAOYSA-N
MW533.79 g/mol
LogP7.45
Rot. Bonds7

About 5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide

5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 91443062) has the molecular formula C26H17Cl3F2N2O2 and a molecular weight of 533.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide
PubChem CID91443062
Molecular FormulaC26H17Cl3F2N2O2
Molecular Weight533.79 g/mol
Exact Mass532.03
IUPAC Name5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(CC(Oc2ccc(F)c(F)c2)c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H17Cl3F2N2O2/c27-16-3-1-14(2-4-16)20-9-15(26(32)34)13-33-24(20)12-25(19-7-5-17(28)10-21(19)29)35-18-6-8-22(30)23(31)11-18/h1-11,13,25H,12H2,(H2,32,34)
InChIKeyTXUUNGGWGAJNPK-UHFFFAOYSA-N
XLogP7.45
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.79
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

3-[2-(2,4-dichlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396199
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-methyl-nicotinamide
CID 10151772
5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dichloro-phenyl)-N-propyl-nicotinamide
CID 10152740
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-methyl-nicotinamide
CID 10174842
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-isopropyl-nicotinamide
CID 10196577
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-nicotinamide
CID 10216983
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-(2-fluoro-ethyl)-nicotinamide
CID 10218471
5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dichloro-phenyl)-N-methyl-nicotinamide
CID 10239221
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-propyl-nicotinamide
CID 10289044
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-ethyl-nicotinamide
CID 10311846
2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-nicotinamide
CID 44390412
2-Benzyloxy-5-(4-chloro-phenyl)-N-cyclopentyl-6-(2,4-dichloro-phenyl)-nicotinamide
CID 44390703

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide (CID 91443062) is 5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide is NC(=O)c1cnc(CC(Oc2ccc(F)c(F)c2)c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is TXUUNGGWGAJNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl3F2N2O2/c27-16-3-1-14(2-4-16)20-9-15(26(32)34)13-33-24(20)12-25(19-7-5-17(28)10-21(19)29)35-18-6-8-22(30)23(31)11-18/h1-11,13,25H,12H2,(H2,32,34).
What are the key properties of 5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-6-[2-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 533.79 g/mol, XLogP of 7.45, 7 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-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 91443062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).