2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide

C18H18F3N3O2 — CID 109079504

IUPAC2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C18H18F3N3O2/c1-2-3-9-23-17(26)15-11-12(8-10-22-15)16(25)24-14-7-5-4-6-13(14)18(19,20)21/h4-8,10-11H,2-3,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyRMGJDYKUSZHWCC-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.88
Rot. Bonds6

About 2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide

2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide (PubChem CID 109079504) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
PubChem CID109079504
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C18H18F3N3O2/c1-2-3-9-23-17(26)15-11-12(8-10-22-15)16(25)24-14-7-5-4-6-13(14)18(19,20)21/h4-8,10-11H,2-3,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyRMGJDYKUSZHWCC-UHFFFAOYSA-N
XLogP3.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-butyl-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079552
2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109079471
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
methyl 2-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089904
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
2-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109084067
4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079363
2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109089898
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109084078
2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109079525
4-N-(2-tert-butylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082404

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide (CID 109079504) is 2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide is CCCCNC(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccn1.
What is the InChIKey of 2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The InChIKey is RMGJDYKUSZHWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-2-3-9-23-17(26)15-11-12(8-10-22-15)16(25)24-14-7-5-4-6-13(14)18(19,20)21/h4-8,10-11H,2-3,9H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).