6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C19H17F3N2O — CID 11544749

IUPAC6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)C#Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C19H17F3N2O/c1-18(2,3)10-9-15-8-7-13(12-23-15)17(25)24-16-6-4-5-14(11-16)19(20,21)22/h4-8,11-12H,1-3H3,(H,24,25)
InChIKeyMGGWVARQMAPPJB-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.75
Rot. Bonds2

About 6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11544749) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11544749
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)C#Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C19H17F3N2O/c1-18(2,3)10-9-15-8-7-13(12-23-15)17(25)24-16-6-4-5-14(11-16)19(20,21)22/h4-8,11-12H,1-3H3,(H,24,25)
InChIKeyMGGWVARQMAPPJB-UHFFFAOYSA-N
XLogP4.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 59811370
N-(4-chlorophenyl)-6-(3,3-dimethylbut-1-ynyl)pyridine-3-carboxamide
CID 59811252
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161183
6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157711
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249147
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11544749) is 6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CC(C)(C)C#Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is MGGWVARQMAPPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-18(2,3)10-9-15-8-7-13(12-23-15)17(25)24-16-6-4-5-14(11-16)19(20,21)22/h4-8,11-12H,1-3H3,(H,24,25).
What are the key properties of 6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11544749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).