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

C11H13N3O2S — CID 704064

IUPAC3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C11H13N3O2S/c1-5-3-6(4-16-2)7-8(12)9(10(13)15)17-11(7)14-5/h3H,4,12H2,1-2H3,(H2,13,15)
InChIKeyIHMBNOOUSWWUFM-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.43
Rot. Bonds3

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

3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 704064) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID704064
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C11H13N3O2S/c1-5-3-6(4-16-2)7-8(12)9(10(13)15)17-11(7)14-5/h3H,4,12H2,1-2H3,(H2,13,15)
InChIKeyIHMBNOOUSWWUFM-UHFFFAOYSA-N
XLogP1.43
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 704064) is 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is COCc1cc(C)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IHMBNOOUSWWUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-5-3-6(4-16-2)7-8(12)9(10(13)15)17-11(7)14-5/h3H,4,12H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 704064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).