3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide

C17H12N4O2S — CID 139219262

IUPAC3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(-c3cccnc3)cc(-c3ccco3)c2c1N
InChIInChI=1S/C17H12N4O2S/c18-14-13-10(12-4-2-6-23-12)7-11(9-3-1-5-20-8-9)21-17(13)24-15(14)16(19)22/h1-8H,18H2,(H2,19,22)
InChIKeyOZCXMVLGIXKQRD-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.30
Rot. Bonds3

About 3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 139219262) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID139219262
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(-c3cccnc3)cc(-c3ccco3)c2c1N
InChIInChI=1S/C17H12N4O2S/c18-14-13-10(12-4-2-6-23-12)7-11(9-3-1-5-20-8-9)21-17(13)24-15(14)16(19)22/h1-8H,18H2,(H2,19,22)
InChIKeyOZCXMVLGIXKQRD-UHFFFAOYSA-N
XLogP3.30
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide (CID 139219262) is 3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(-c3cccnc3)cc(-c3ccco3)c2c1N.
What is the InChIKey of 3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OZCXMVLGIXKQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c18-14-13-10(12-4-2-6-23-12)7-11(9-3-1-5-20-8-9)21-17(13)24-15(14)16(19)22/h1-8H,18H2,(H2,19,22).
What are the key properties of 3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 139219262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).