3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C16H17N3O3S — CID 672045

IUPAC3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)NCc3ccco3)c(N)c12
InChIInChI=1S/C16H17N3O3S/c1-9-6-10(8-21-2)12-13(17)14(23-16(12)19-9)15(20)18-7-11-4-3-5-22-11/h3-6H,7-8,17H2,1-2H3,(H,18,20)
InChIKeyRQIZFJSSJRCFGC-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.86
Rot. Bonds5

About 3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 672045) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID672045
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)NCc3ccco3)c(N)c12
InChIInChI=1S/C16H17N3O3S/c1-9-6-10(8-21-2)12-13(17)14(23-16(12)19-9)15(20)18-7-11-4-3-5-22-11/h3-6H,7-8,17H2,1-2H3,(H,18,20)
InChIKeyRQIZFJSSJRCFGC-UHFFFAOYSA-N
XLogP2.86
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 672045) is 3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is COCc1cc(C)nc2sc(C(=O)NCc3ccco3)c(N)c12.
What is the InChIKey of 3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RQIZFJSSJRCFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-9-6-10(8-21-2)12-13(17)14(23-16(12)19-9)15(20)18-7-11-4-3-5-22-11/h3-6H,7-8,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(furan-2-ylmethyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 672045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).