4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide

C16H12F3N3O2S — CID 56925457

IUPAC4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCNC(=O)c1cnc(N)c2cc(-c3ccc(OC(F)(F)F)cc3)sc12
InChIInChI=1S/C16H12F3N3O2S/c1-21-15(23)11-7-22-14(20)10-6-12(25-13(10)11)8-2-4-9(5-3-8)24-16(17,18)19/h2-7H,1H3,(H2,20,22)(H,21,23)
InChIKeyZYYHYWCLONWJSJ-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.80
Rot. Bonds3

About 4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 56925457) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID56925457
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCNC(=O)c1cnc(N)c2cc(-c3ccc(OC(F)(F)F)cc3)sc12
InChIInChI=1S/C16H12F3N3O2S/c1-21-15(23)11-7-22-14(20)10-6-12(25-13(10)11)8-2-4-9(5-3-8)24-16(17,18)19/h2-7H,1H3,(H2,20,22)(H,21,23)
InChIKeyZYYHYWCLONWJSJ-UHFFFAOYSA-N
XLogP3.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide (CID 56925457) is 4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide is CNC(=O)c1cnc(N)c2cc(-c3ccc(OC(F)(F)F)cc3)sc12.
What is the InChIKey of 4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is ZYYHYWCLONWJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c1-21-15(23)11-7-22-14(20)10-6-12(25-13(10)11)8-2-4-9(5-3-8)24-16(17,18)19/h2-7H,1H3,(H2,20,22)(H,21,23).
What are the key properties of 4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-[4-(trifluoromethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 56925457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).