3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

C11H13N3O2S — CID 90436560

IUPAC3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccnc2sc(C(=O)N(C)C)c(N)c12
InChIInChI=1S/C11H13N3O2S/c1-14(2)11(15)9-8(12)7-6(16-3)4-5-13-10(7)17-9/h4-5H,12H2,1-3H3
InChIKeyXDBQTZIYWZZEKJ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.59
Rot. Bonds2

About 3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 90436560) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID90436560
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccnc2sc(C(=O)N(C)C)c(N)c12
InChIInChI=1S/C11H13N3O2S/c1-14(2)11(15)9-8(12)7-6(16-3)4-5-13-10(7)17-9/h4-5H,12H2,1-3H3
InChIKeyXDBQTZIYWZZEKJ-UHFFFAOYSA-N
XLogP1.59
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 90436560) is 3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is COc1ccnc2sc(C(=O)N(C)C)c(N)c12.
What is the InChIKey of 3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XDBQTZIYWZZEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-14(2)11(15)9-8(12)7-6(16-3)4-5-13-10(7)17-9/h4-5H,12H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 90436560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).