4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide

C21H16F3N3O2 — CID 109085587

IUPAC4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C21H16F3N3O2/c1-12-4-2-3-5-14(12)11-26-20(28)13-8-9-25-17(10-13)21(29)27-16-7-6-15(22)18(23)19(16)24/h2-10H,11H2,1H3,(H,26,28)(H,27,29)
InChIKeyXUWTWJFSYJTAAJ-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.99
Rot. Bonds5

About 4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide

4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109085587) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109085587
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C21H16F3N3O2/c1-12-4-2-3-5-14(12)11-26-20(28)13-8-9-25-17(10-13)21(29)27-16-7-6-15(22)18(23)19(16)24/h2-10H,11H2,1H3,(H,26,28)(H,27,29)
InChIKeyXUWTWJFSYJTAAJ-UHFFFAOYSA-N
XLogP3.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.99
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

2-N-(2-fluorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085559
4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109087202
2-N-(2-chlorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085561
2-N-(2-cyanophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085583
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086371
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
2-N-[(2-methylphenyl)methyl]-4-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085642
4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079203
4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109085533
4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109093370

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide (CID 109085587) is 4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide is Cc1ccccc1CNC(=O)c1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is XUWTWJFSYJTAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-12-4-2-3-5-14(12)11-26-20(28)13-8-9-25-17(10-13)21(29)27-16-7-6-15(22)18(23)19(16)24/h2-10H,11H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 399.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).