3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C17H13N3O2S — CID 45485795

IUPAC3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(-c2cc3ccccc3o2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C17H13N3O2S/c1-8-6-10(12-7-9-4-2-3-5-11(9)22-12)13-14(18)15(16(19)21)23-17(13)20-8/h2-7H,18H2,1H3,(H2,19,21)
InChIKeyKFARXEUJQIEGIE-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.70
Rot. Bonds2

About 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 45485795) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID45485795
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(-c2cc3ccccc3o2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C17H13N3O2S/c1-8-6-10(12-7-9-4-2-3-5-11(9)22-12)13-14(18)15(16(19)21)23-17(13)20-8/h2-7H,18H2,1H3,(H2,19,21)
InChIKeyKFARXEUJQIEGIE-UHFFFAOYSA-N
XLogP3.70
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 45485795) is 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(-c2cc3ccccc3o2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KFARXEUJQIEGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-8-6-10(12-7-9-4-2-3-5-11(9)22-12)13-14(18)15(16(19)21)23-17(13)20-8/h2-7H,18H2,1H3,(H2,19,21).
What are the key properties of 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1-benzofuran-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 45485795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).