5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide

C21H17F2N3O2 — CID 109105333

IUPAC5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cncc(C(=O)Nc3c(F)cccc3F)c2)cc1
InChIInChI=1S/C21H17F2N3O2/c1-13-5-7-14(8-6-13)10-25-20(27)15-9-16(12-24-11-15)21(28)26-19-17(22)3-2-4-18(19)23/h2-9,11-12H,10H2,1H3,(H,25,27)(H,26,28)
InChIKeySGUWPAYNWMXEFE-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.85
Rot. Bonds5

About 5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide

5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 109105333) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
PubChem CID109105333
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cncc(C(=O)Nc3c(F)cccc3F)c2)cc1
InChIInChI=1S/C21H17F2N3O2/c1-13-5-7-14(8-6-13)10-25-20(27)15-9-16(12-24-11-15)21(28)26-19-17(22)3-2-4-18(19)23/h2-9,11-12H,10H2,1H3,(H,25,27)(H,26,28)
InChIKeySGUWPAYNWMXEFE-UHFFFAOYSA-N
XLogP3.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide
CID 109105081
5-N-(2,6-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106084
5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103717
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032
N-(2,6-difluorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233782
5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105328
5-N-(3-chloro-4-methylphenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105312
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105507
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109232551
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
5-N-(2,4-dimethylphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105208

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide (CID 109105333) is 5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide is Cc1ccc(CNC(=O)c2cncc(C(=O)Nc3c(F)cccc3F)c2)cc1.
What is the InChIKey of 5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is SGUWPAYNWMXEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c1-13-5-7-14(8-6-13)10-25-20(27)15-9-16(12-24-11-15)21(28)26-19-17(22)3-2-4-18(19)23/h2-9,11-12H,10H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 381.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).