N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide

C17H13F3N2OS — CID 3248588

IUPACN-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc2sccc2nc1C(F)(F)F
InChIInChI=1S/C17H13F3N2OS/c1-9-4-3-5-10(2)14(9)22-16(23)11-8-13-12(6-7-24-13)21-15(11)17(18,19)20/h3-8H,1-2H3,(H,22,23)
InChIKeyDOEWIKNZVDUSRH-UHFFFAOYSA-N
MW350.37 g/mol
LogP5.18
Rot. Bonds2

About N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide

N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 3248588) has the molecular formula C17H13F3N2OS and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide
PubChem CID3248588
Molecular FormulaC17H13F3N2OS
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC NameN-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc2sccc2nc1C(F)(F)F
InChIInChI=1S/C17H13F3N2OS/c1-9-4-3-5-10(2)14(9)22-16(23)11-8-13-12(6-7-24-13)21-15(11)17(18,19)20/h3-8H,1-2H3,(H,22,23)
InChIKeyDOEWIKNZVDUSRH-UHFFFAOYSA-N
XLogP5.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide (CID 3248588) is N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide is Cc1cccc(C)c1NC(=O)c1cc2sccc2nc1C(F)(F)F.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is DOEWIKNZVDUSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2OS/c1-9-4-3-5-10(2)14(9)22-16(23)11-8-13-12(6-7-24-13)21-15(11)17(18,19)20/h3-8H,1-2H3,(H,22,23).
What are the key properties of N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide?
N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 3248588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).