3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

C21H16F3N3OS2 — CID 86684995

IUPAC3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCNc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C21H16F3N3OS2/c1-2-25-17-14-8-9-15(16-7-4-10-29-16)27-20(14)30-18(17)19(28)26-13-6-3-5-12(11-13)21(22,23)24/h3-11,25H,2H2,1H3,(H,26,28)
InChIKeyQFJKEGBYAYYFFT-UHFFFAOYSA-N
MW447.51 g/mol
LogP6.73
Rot. Bonds5

About 3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 86684995) has the molecular formula C21H16F3N3OS2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID86684995
Molecular FormulaC21H16F3N3OS2
Molecular Weight447.51 g/mol
Exact Mass447.07
IUPAC Name3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCNc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C21H16F3N3OS2/c1-2-25-17-14-8-9-15(16-7-4-10-29-16)27-20(14)30-18(17)19(28)26-13-6-3-5-12(11-13)21(22,23)24/h3-11,25H,2H2,1H3,(H,26,28)
InChIKeyQFJKEGBYAYYFFT-UHFFFAOYSA-N
XLogP6.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.51
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (CID 86684995) is 3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is CCNc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)ccc12.
What is the InChIKey of 3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QFJKEGBYAYYFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3OS2/c1-2-25-17-14-8-9-15(16-7-4-10-29-16)27-20(14)30-18(17)19(28)26-13-6-3-5-12(11-13)21(22,23)24/h3-11,25H,2H2,1H3,(H,26,28).
What are the key properties of 3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 6.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 86684995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).