3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide

C20H15F2N3O2 — CID 109105081

IUPAC3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cncc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C20H15F2N3O2/c21-16-7-4-8-17(22)18(16)25-20(27)15-9-14(11-23-12-15)19(26)24-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,24,26)(H,25,27)
InChIKeyGLEPRULHVSCMEB-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.54
Rot. Bonds5

About 3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide

3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide (PubChem CID 109105081) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide
PubChem CID109105081
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cncc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C20H15F2N3O2/c21-16-7-4-8-17(22)18(16)25-20(27)15-9-14(11-23-12-15)19(26)24-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,24,26)(H,25,27)
InChIKeyGLEPRULHVSCMEB-UHFFFAOYSA-N
XLogP3.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2,6-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106084
5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105333
3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109105080
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105507
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103717
2-N-benzyl-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109097324
N-(2,6-difluorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233782
3-N-benzyl-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109105061
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
CID 109105034

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide (CID 109105081) is 3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide is O=C(NCc1ccccc1)c1cncc(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide?
The InChIKey is GLEPRULHVSCMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c21-16-7-4-8-17(22)18(16)25-20(27)15-9-14(11-23-12-15)19(26)24-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,24,26)(H,25,27).
What are the key properties of 3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide?
3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide has a molecular weight of 367.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).