3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide

C18H13N3O2S — CID 667115

IUPAC3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccco3)ccc12
InChIInChI=1S/C18H13N3O2S/c19-15-12-8-9-13(14-7-4-10-23-14)21-18(12)24-16(15)17(22)20-11-5-2-1-3-6-11/h1-10H,19H2,(H,20,22)
InChIKeyHVNZSHBWGBEEKF-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.39
Rot. Bonds3

About 3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 667115) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID667115
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccco3)ccc12
InChIInChI=1S/C18H13N3O2S/c19-15-12-8-9-13(14-7-4-10-23-14)21-18(12)24-16(15)17(22)20-11-5-2-1-3-6-11/h1-10H,19H2,(H,20,22)
InChIKeyHVNZSHBWGBEEKF-UHFFFAOYSA-N
XLogP4.39
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 667115) is 3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccco3)ccc12.
What is the InChIKey of 3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HVNZSHBWGBEEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c19-15-12-8-9-13(14-7-4-10-23-14)21-18(12)24-16(15)17(22)20-11-5-2-1-3-6-11/h1-10H,19H2,(H,20,22).
What are the key properties of 3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(furan-2-yl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 667115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).