N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

C17H18F3N3O — CID 109224865

IUPACN-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cncc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O/c1-11(2)8-22-16(24)12-7-13(10-21-9-12)23-15-6-4-3-5-14(15)17(18,19)20/h3-7,9-11,23H,8H2,1-2H3,(H,22,24)
InChIKeyUGISNTRFCLJOSV-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.23
Rot. Bonds5

About N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109224865) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109224865
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cncc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O/c1-11(2)8-22-16(24)12-7-13(10-21-9-12)23-15-6-4-3-5-14(15)17(18,19)20/h3-7,9-11,23H,8H2,1-2H3,(H,22,24)
InChIKeyUGISNTRFCLJOSV-UHFFFAOYSA-N
XLogP4.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(propan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223495
N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109235856
N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109233370
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
N-(4-acetylphenyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245712
N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109229551
N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109240301
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224826
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109227465
N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
CID 43088640
(4-methylpiperazin-1-yl)-[5-[2-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109230180

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109224865) is N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is CC(C)CNC(=O)c1cncc(Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is UGISNTRFCLJOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-11(2)8-22-16(24)12-7-13(10-21-9-12)23-15-6-4-3-5-14(15)17(18,19)20/h3-7,9-11,23H,8H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109224865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).