2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide

C21H16F3N3O2 — CID 109086163

IUPAC2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
SMILESCC(NC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccn1)c1ccccc1
InChIInChI=1S/C21H16F3N3O2/c1-12(13-5-3-2-4-6-13)26-21(29)17-11-14(9-10-25-17)20(28)27-16-8-7-15(22)18(23)19(16)24/h2-12H,1H3,(H,26,29)(H,27,28)
InChIKeyFNGMBYHZEZMCON-UHFFFAOYSA-N
MW399.37 g/mol
LogP4.24
Rot. Bonds5

About 2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide

2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109086163) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109086163
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
SMILESCC(NC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccn1)c1ccccc1
InChIInChI=1S/C21H16F3N3O2/c1-12(13-5-3-2-4-6-13)26-21(29)17-11-14(9-10-25-17)20(28)27-16-8-7-15(22)18(23)19(16)24/h2-12H,1H3,(H,26,29)(H,27,28)
InChIKeyFNGMBYHZEZMCON-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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

4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109210872
4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086154
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109093370
4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086090
2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086006
N'-(1-phenylethyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108946029
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
2-amino-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 62151990
4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109085587
2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086071
4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109087202

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide (CID 109086163) is 2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide is CC(NC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccn1)c1ccccc1.
What is the InChIKey of 2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is FNGMBYHZEZMCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-12(13-5-3-2-4-6-13)26-21(29)17-11-14(9-10-25-17)20(28)27-16-8-7-15(22)18(23)19(16)24/h2-12H,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 399.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).