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

C17H18F3N3O — CID 109239319

IUPACN-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H18F3N3O/c1-16(2,3)23-15(24)11-7-14(10-21-9-11)22-13-6-4-5-12(8-13)17(18,19)20/h4-10,22H,1-3H3,(H,23,24)
InChIKeyMYLQSFCMGYNHIA-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.37
Rot. Bonds3

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

N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109239319) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109239319
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H18F3N3O/c1-16(2,3)23-15(24)11-7-14(10-21-9-11)22-13-6-4-5-12(8-13)17(18,19)20/h4-10,22H,1-3H3,(H,23,24)
InChIKeyMYLQSFCMGYNHIA-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241871
N-(4-acetylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245736
N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224479
N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide
CID 109239372
5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223100
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109225633
N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109239296
5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide
CID 109239305
N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
CID 109239269
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109240749

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109239319) is N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cncc(Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is MYLQSFCMGYNHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-16(2,3)23-15(24)11-7-14(10-21-9-11)22-13-6-4-5-12(8-13)17(18,19)20/h4-10,22H,1-3H3,(H,23,24).
What are the key properties of N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109239319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).