6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide

C22H19F2N3O2 — CID 109100678

IUPAC6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C22H19F2N3O2/c1-13(2)14-6-8-15(9-7-14)25-21(28)19-4-3-5-20(27-19)22(29)26-16-10-11-17(23)18(24)12-16/h3-13H,1-2H3,(H,25,28)(H,26,29)
InChIKeyWFCLCDYQNXXOCS-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.99
Rot. Bonds5

About 6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide

6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109100678) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
PubChem CID109100678
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C22H19F2N3O2/c1-13(2)14-6-8-15(9-7-14)25-21(28)19-4-3-5-20(27-19)22(29)26-16-10-11-17(23)18(24)12-16/h3-13H,1-2H3,(H,25,28)(H,26,29)
InChIKeyWFCLCDYQNXXOCS-UHFFFAOYSA-N
XLogP4.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3,4-difluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093804
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101017
2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109097776
6-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100953
2-N-(4-cyanophenyl)-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100676
6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094193
6-N-(2,4-difluorophenyl)-2-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101086
6-N,6-N-diethyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109098987
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
2-N-(1,3-benzodioxol-5-yl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101072
6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097568

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide (CID 109100678) is 6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide is CC(C)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of 6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is WFCLCDYQNXXOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-13(2)14-6-8-15(9-7-14)25-21(28)19-4-3-5-20(27-19)22(29)26-16-10-11-17(23)18(24)12-16/h3-13H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide?
6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 395.41 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109100678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).