3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide

C20H13F3N4O2S — CID 1086315

IUPAC3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)sc2nc(-c3ccncc3)ccc12
InChIInChI=1S/C20H13F3N4O2S/c21-20(22,23)29-13-3-1-12(2-4-13)26-18(28)17-16(24)14-5-6-15(27-19(14)30-17)11-7-9-25-10-8-11/h1-10H,24H2,(H,26,28)
InChIKeyIULPQALWRPXAAG-UHFFFAOYSA-N
MW430.41 g/mol
LogP5.09
Rot. Bonds4

About 3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1086315) has the molecular formula C20H13F3N4O2S and a molecular weight of 430.41 g/mol. Its IUPAC name is 3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1086315
Molecular FormulaC20H13F3N4O2S
Molecular Weight430.41 g/mol
Exact Mass430.07
IUPAC Name3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)sc2nc(-c3ccncc3)ccc12
InChIInChI=1S/C20H13F3N4O2S/c21-20(22,23)29-13-3-1-12(2-4-13)26-18(28)17-16(24)14-5-6-15(27-19(14)30-17)11-7-9-25-10-8-11/h1-10H,24H2,(H,26,28)
InChIKeyIULPQALWRPXAAG-UHFFFAOYSA-N
XLogP5.09
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.41
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide (CID 1086315) is 3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)sc2nc(-c3ccncc3)ccc12.
What is the InChIKey of 3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IULPQALWRPXAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2S/c21-20(22,23)29-13-3-1-12(2-4-13)26-18(28)17-16(24)14-5-6-15(27-19(14)30-17)11-7-9-25-10-8-11/h1-10H,24H2,(H,26,28).
What are the key properties of 3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 430.41 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1086315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).