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

C21H15F2N3O3 — CID 109101017

IUPAC2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)n2)c1
InChIInChI=1S/C21H15F2N3O3/c1-12(27)13-4-2-5-14(10-13)24-20(28)18-6-3-7-19(26-18)21(29)25-15-8-9-16(22)17(23)11-15/h2-11H,1H3,(H,24,28)(H,25,29)
InChIKeyYLBKLWDPXARMRN-UHFFFAOYSA-N
MW395.37 g/mol
LogP4.07
Rot. Bonds5

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

2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide (PubChem CID 109101017) has the molecular formula C21H15F2N3O3 and a molecular weight of 395.37 g/mol. Its IUPAC name is 2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
PubChem CID109101017
Molecular FormulaC21H15F2N3O3
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC Name2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)n2)c1
InChIInChI=1S/C21H15F2N3O3/c1-12(27)13-4-2-5-14(10-13)24-20(28)18-6-3-7-19(26-18)21(29)25-15-8-9-16(22)17(23)11-15/h2-11H,1H3,(H,24,28)(H,25,29)
InChIKeyYLBKLWDPXARMRN-UHFFFAOYSA-N
XLogP4.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
6-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100953
2-N-(3,4-difluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093804
6-N-(3,4-difluorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100678
6-N-(2,4-difluorophenyl)-2-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101086
N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide
CID 112988151
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-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094193
2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318223
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 2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide (CID 109101017) is 2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)n2)c1.
What is the InChIKey of 2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide?
The InChIKey is YLBKLWDPXARMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3/c1-12(27)13-4-2-5-14(10-13)24-20(28)18-6-3-7-19(26-18)21(29)25-15-8-9-16(22)17(23)11-15/h2-11H,1H3,(H,24,28)(H,25,29).
What are the key properties of 2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide?
2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide has a molecular weight of 395.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109101017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).