3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C17H14F3N3OS — CID 4775990

IUPAC3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(N)c23)cc1C
InChIInChI=1S/C17H14F3N3OS/c1-7-3-4-9(5-8(7)2)10-6-11(17(18,19)20)23-16-12(10)13(21)14(25-16)15(22)24/h3-6H,21H2,1-2H3,(H2,22,24)
InChIKeyXEMOWRYEMOSFEB-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.28
Rot. Bonds2

About 3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 4775990) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID4775990
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(N)c23)cc1C
InChIInChI=1S/C17H14F3N3OS/c1-7-3-4-9(5-8(7)2)10-6-11(17(18,19)20)23-16-12(10)13(21)14(25-16)15(22)24/h3-6H,21H2,1-2H3,(H2,22,24)
InChIKeyXEMOWRYEMOSFEB-UHFFFAOYSA-N
XLogP4.28
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 4775990) is 3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(N)c23)cc1C.
What is the InChIKey of 3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XEMOWRYEMOSFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-7-3-4-9(5-8(7)2)10-6-11(17(18,19)20)23-16-12(10)13(21)14(25-16)15(22)24/h3-6H,21H2,1-2H3,(H2,22,24).
What are the key properties of 3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 4775990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).