3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide

C20H14F3N3O2 — CID 109105080

IUPAC3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cncc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C20H14F3N3O2/c21-15-6-7-16(18(23)17(15)22)26-20(28)14-8-13(10-24-11-14)19(27)25-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,25,27)(H,26,28)
InChIKeyXOZAUFLHZIALMH-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.68
Rot. Bonds5

About 3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide

3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide (PubChem CID 109105080) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
PubChem CID109105080
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC Name3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cncc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C20H14F3N3O2/c21-15-6-7-16(18(23)17(15)22)26-20(28)14-8-13(10-24-11-14)19(27)25-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,25,27)(H,26,28)
InChIKeyXOZAUFLHZIALMH-UHFFFAOYSA-N
XLogP3.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide
CID 109105081
3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109105042
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109101322
5-N-(2,4-difluorophenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106175
1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046923
3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109105048
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106077
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
5-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109241821
1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109055054
3-N-benzyl-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109105061

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide (CID 109105080) is 3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide is O=C(NCc1ccccc1)c1cncc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide?
The InChIKey is XOZAUFLHZIALMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-15-6-7-16(18(23)17(15)22)26-20(28)14-8-13(10-24-11-14)19(27)25-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,25,27)(H,26,28).
What are the key properties of 3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide?
3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide has a molecular weight of 385.35 g/mol, XLogP of 3.68, 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-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).