5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C17H17ClF3N3O — CID 109224708

IUPAC5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C17H17ClF3N3O/c1-2-3-6-23-13-7-11(9-22-10-13)16(25)24-15-5-4-12(18)8-14(15)17(19,20)21/h4-5,7-10,23H,2-3,6H2,1H3,(H,24,25)
InChIKeyKTVVGBCZDGTDIM-UHFFFAOYSA-N
MW371.79 g/mol
LogP5.22
Rot. Bonds6

About 5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 109224708) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is 5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID109224708
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC Name5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C17H17ClF3N3O/c1-2-3-6-23-13-7-11(9-22-10-13)16(25)24-15-5-4-12(18)8-14(15)17(19,20)21/h4-5,7-10,23H,2-3,6H2,1H3,(H,24,25)
InChIKeyKTVVGBCZDGTDIM-UHFFFAOYSA-N
XLogP5.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.79
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-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

3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102080
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223532
5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109240451
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
methyl 3-[[5-(butylamino)pyridine-3-carbonyl]amino]-4-chlorobenzoate
CID 109224681
4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 4512796
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 109224708) is 5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCCCNc1cncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of 5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is KTVVGBCZDGTDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-2-3-6-23-13-7-11(9-22-10-13)16(25)24-15-5-4-12(18)8-14(15)17(19,20)21/h4-5,7-10,23H,2-3,6H2,1H3,(H,24,25).
What are the key properties of 5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 371.79 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109224708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).