N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C17H18F3N3O — CID 109224479

IUPACN-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H18F3N3O/c1-2-3-7-22-16(24)12-8-15(11-21-10-12)23-14-6-4-5-13(9-14)17(18,19)20/h4-6,8-11,23H,2-3,7H2,1H3,(H,22,24)
InChIKeyBGFPOQWSBSQMOU-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.37
Rot. Bonds6

About N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109224479) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109224479
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H18F3N3O/c1-2-3-7-22-16(24)12-8-15(11-21-10-12)23-14-6-4-5-13(9-14)17(18,19)20/h4-6,8-11,23H,2-3,7H2,1H3,(H,22,24)
InChIKeyBGFPOQWSBSQMOU-UHFFFAOYSA-N
XLogP4.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.37
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

N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109239319
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223100
N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241871
methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240080
N-(4-acetylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245736
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide
CID 109224520
N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 109224461
N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109228132
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109224477
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109224479) is N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is CCCCNC(=O)c1cncc(Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is BGFPOQWSBSQMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-2-3-7-22-16(24)12-8-15(11-21-10-12)23-14-6-4-5-13(9-14)17(18,19)20/h4-6,8-11,23H,2-3,7H2,1H3,(H,22,24).
What are the key properties of N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109224479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).