3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C13H12F3N3O2S — CID 37126044

IUPAC3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)CNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C
InChIInChI=1S/C13H12F3N3O2S/c1-6-7-3-4-8(13(14,15)16)19-12(7)22-10(6)11(21)18-5-9(20)17-2/h3-4H,5H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyAHHTVHZWRVRFTR-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.10
Rot. Bonds3

About 3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 37126044) has the molecular formula C13H12F3N3O2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID37126044
Molecular FormulaC13H12F3N3O2S
Molecular Weight331.32 g/mol
Exact Mass331.06
IUPAC Name3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)CNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C
InChIInChI=1S/C13H12F3N3O2S/c1-6-7-3-4-8(13(14,15)16)19-12(7)22-10(6)11(21)18-5-9(20)17-2/h3-4H,5H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyAHHTVHZWRVRFTR-UHFFFAOYSA-N
XLogP2.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 37126044) is 3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CNC(=O)CNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C.
What is the InChIKey of 3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AHHTVHZWRVRFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2S/c1-6-7-3-4-8(13(14,15)16)19-12(7)22-10(6)11(21)18-5-9(20)17-2/h3-4H,5H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 37126044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).