N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide

C17H18F3N3O — CID 109180759

IUPACN-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H18F3N3O/c1-2-3-10-21-16(24)15-9-8-14(11-22-15)23-13-6-4-12(5-7-13)17(18,19)20/h4-9,11,23H,2-3,10H2,1H3,(H,21,24)
InChIKeyAZWADIVFWUOEMB-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.37
Rot. Bonds6

About N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide

N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109180759) has the molecular formula C17H18F3N3O and a molecular weight of 337.34 g/mol. Its IUPAC name is N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109180759
Molecular FormulaC17H18F3N3O
Molecular Weight337.34 g/mol
Exact Mass337.14
IUPAC NameN-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H18F3N3O/c1-2-3-10-21-16(24)15-9-8-14(11-22-15)23-13-6-4-12(5-7-13)17(18,19)20/h4-9,11,23H,2-3,10H2,1H3,(H,21,24)
InChIKeyAZWADIVFWUOEMB-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 ≤ 500337.34
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109180770
N-butyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109180718
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813
N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109179578
5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109195788
N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200327
N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109180715
5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109180889
5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide
CID 109195775
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113265555
N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113368697

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109180759) is N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide is CCCCNC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is AZWADIVFWUOEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-2-3-10-21-16(24)15-9-8-14(11-22-15)23-13-6-4-12(5-7-13)17(18,19)20/h4-9,11,23H,2-3,10H2,1H3,(H,21,24).
What are the key properties of N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide has a molecular weight of 337.34 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-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109180759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).