2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide

C17H18F3N3O — CID 110178309

IUPAC2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C17H18F3N3O/c1-16(2,3)15(24)23-13-7-8-14(21-10-13)22-12-6-4-5-11(9-12)17(18,19)20/h4-10H,1-3H3,(H,21,22)(H,23,24)
InChIKeyPWXZAMYOHAOJPJ-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.83
Rot. Bonds3

About 2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide

2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide (PubChem CID 110178309) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
PubChem CID110178309
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C17H18F3N3O/c1-16(2,3)15(24)23-13-7-8-14(21-10-13)22-12-6-4-5-11(9-12)17(18,19)20/h4-10H,1-3H3,(H,21,22)(H,23,24)
InChIKeyPWXZAMYOHAOJPJ-UHFFFAOYSA-N
XLogP4.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113016953
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
CID 113020231
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide
CID 113020236
2-(4-fluorophenyl)-N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034872
N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109164420
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
N-(6-amino-3-pyridinyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119515907
N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292840
N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113037485
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide (CID 110178309) is 2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide is CC(C)(C)C(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of 2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide?
The InChIKey is PWXZAMYOHAOJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-16(2,3)15(24)23-13-7-8-14(21-10-13)22-12-6-4-5-11(9-12)17(18,19)20/h4-10H,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide?
2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide has a molecular weight of 337.35 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide is sourced from PubChem (CID 110178309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).