2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide

C21H16F3N3O2 — CID 109088058

IUPAC2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccnc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C21H16F3N3O2/c22-15-6-4-13(5-7-15)8-10-26-20(28)14-9-11-25-18(12-14)21(29)27-19-16(23)2-1-3-17(19)24/h1-7,9,11-12H,8,10H2,(H,26,28)(H,27,29)
InChIKeyZORMXYRCANYBDT-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.72
Rot. Bonds6

About 2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide

2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide (PubChem CID 109088058) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
PubChem CID109088058
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccnc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C21H16F3N3O2/c22-15-6-4-13(5-7-15)8-10-26-20(28)14-9-11-25-18(12-14)21(29)27-19-16(23)2-1-3-17(19)24/h1-7,9,11-12H,8,10H2,(H,26,28)(H,27,29)
InChIKeyZORMXYRCANYBDT-UHFFFAOYSA-N
XLogP3.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088541
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089838
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214633
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080350
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088075
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide (CID 109088058) is 2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide is O=C(NCCc1ccc(F)cc1)c1ccnc(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The InChIKey is ZORMXYRCANYBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c22-15-6-4-13(5-7-15)8-10-26-20(28)14-9-11-25-18(12-14)21(29)27-19-16(23)2-1-3-17(19)24/h1-7,9,11-12H,8,10H2,(H,26,28)(H,27,29).
What are the key properties of 2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide?
2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide has a molecular weight of 399.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).