3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C20H15N3O3S2 — CID 1301824

IUPAC3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C20H15N3O3S2/c21-17-12-4-5-13(16-2-1-9-27-16)23-20(12)28-18(17)19(24)22-11-3-6-14-15(10-11)26-8-7-25-14/h1-6,9-10H,7-8,21H2,(H,22,24)
InChIKeyIQDQLUMZRMHUTP-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.63
Rot. Bonds3

About 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1301824) has the molecular formula C20H15N3O3S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1301824
Molecular FormulaC20H15N3O3S2
Molecular Weight409.49 g/mol
Exact Mass409.06
IUPAC Name3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C20H15N3O3S2/c21-17-12-4-5-13(16-2-1-9-27-16)23-20(12)28-18(17)19(24)22-11-3-6-14-15(10-11)26-8-7-25-14/h1-6,9-10H,7-8,21H2,(H,22,24)
InChIKeyIQDQLUMZRMHUTP-UHFFFAOYSA-N
XLogP4.63
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1301824) is 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc(-c3cccs3)ccc12.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IQDQLUMZRMHUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S2/c21-17-12-4-5-13(16-2-1-9-27-16)23-20(12)28-18(17)19(24)22-11-3-6-14-15(10-11)26-8-7-25-14/h1-6,9-10H,7-8,21H2,(H,22,24).
What are the key properties of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1301824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).