2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide

C17H16F3N3O2 — CID 109094379

IUPAC2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C17H16F3N3O2/c1-2-3-9-21-16(24)12-5-4-6-13(22-12)17(25)23-11-8-7-10(18)14(19)15(11)20/h4-8H,2-3,9H2,1H3,(H,21,24)(H,23,25)
InChIKeyUQXVJGSEYRYDSX-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.28
Rot. Bonds6

About 2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide

2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide (PubChem CID 109094379) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide
PubChem CID109094379
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C17H16F3N3O2/c1-2-3-9-21-16(24)12-5-4-6-13(22-12)17(25)23-11-8-7-10(18)14(19)15(11)20/h4-8H,2-3,9H2,1H3,(H,21,24)(H,23,25)
InChIKeyUQXVJGSEYRYDSX-UHFFFAOYSA-N
XLogP3.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109094367
2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109094306
2-N-butyl-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109094303
1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109056346
2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
CID 109094300
6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094353
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094361
6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 62237786
6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094351

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide (CID 109094379) is 2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)n1.
What is the InChIKey of 2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide?
The InChIKey is UQXVJGSEYRYDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-2-3-9-21-16(24)12-5-4-6-13(22-12)17(25)23-11-8-7-10(18)14(19)15(11)20/h4-8H,2-3,9H2,1H3,(H,21,24)(H,23,25).
What are the key properties of 2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide?
2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide has a molecular weight of 351.33 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).