6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide

C25H16Cl2F2N2O2 — CID 58961574

IUPAC6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C25H16Cl2F2N2O2/c26-16-8-6-15(7-9-16)18-12-19(24(30)32)25(31-23(18)17-3-1-2-4-20(17)27)33-13-14-5-10-21(28)22(29)11-14/h1-12H,13H2,(H2,30,32)
InChIKeyJXNMKWAHBYRQHC-UHFFFAOYSA-N
MW485.32 g/mol
LogP6.68
Rot. Bonds6

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

6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide (PubChem CID 58961574) has the molecular formula C25H16Cl2F2N2O2 and a molecular weight of 485.32 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide
PubChem CID58961574
Molecular FormulaC25H16Cl2F2N2O2
Molecular Weight485.32 g/mol
Exact Mass484.06
IUPAC Name6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C25H16Cl2F2N2O2/c26-16-8-6-15(7-9-16)18-12-19(24(30)32)25(31-23(18)17-3-1-2-4-20(17)27)33-13-14-5-10-21(28)22(29)11-14/h1-12H,13H2,(H2,30,32)
InChIKeyJXNMKWAHBYRQHC-UHFFFAOYSA-N
XLogP6.68
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.32
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide (CID 58961574) is 6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide is NC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide?
The InChIKey is JXNMKWAHBYRQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2F2N2O2/c26-16-8-6-15(7-9-16)18-12-19(24(30)32)25(31-23(18)17-3-1-2-4-20(17)27)33-13-14-5-10-21(28)22(29)11-14/h1-12H,13H2,(H2,30,32).
What are the key properties of 6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide?
6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide has a molecular weight of 485.32 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 58961574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).