2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide

C19H20F3N3O2 — CID 109089898

IUPAC2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C19H20F3N3O2/c1-2-3-4-9-24-18(27)16-11-13(8-10-23-16)17(26)25-15-7-5-6-14(12-15)19(20,21)22/h5-8,10-12H,2-4,9H2,1H3,(H,24,27)(H,25,26)
InChIKeyWCGFZKNDVAEUTB-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.27
Rot. Bonds7

About 2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide

2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide (PubChem CID 109089898) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
PubChem CID109089898
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C19H20F3N3O2/c1-2-3-4-9-24-18(27)16-11-13(8-10-23-16)17(26)25-15-7-5-6-14(12-15)19(20,21)22/h5-8,10-12H,2-4,9H2,1H3,(H,24,27)(H,25,26)
InChIKeyWCGFZKNDVAEUTB-UHFFFAOYSA-N
XLogP4.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.27
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-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109079525
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
CID 109079477
2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109079504
2-N-[3-(dimethylamino)propyl]-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109084104
2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089838
4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080812
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093176
methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109077959
N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109175363

Frequently Asked Questions

What is the IUPAC name of 2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide (CID 109089898) is 2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide is CCCCCNC(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The InChIKey is WCGFZKNDVAEUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-2-3-4-9-24-18(27)16-11-13(8-10-23-16)17(26)25-15-7-5-6-14(12-15)19(20,21)22/h5-8,10-12H,2-4,9H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide has a molecular weight of 379.38 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).