3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide

C13H17N3OS — CID 10038414

IUPAC3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(CC(C)C)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C13H17N3OS/c1-6(2)4-8-5-7(3)9-10(14)11(12(15)17)18-13(9)16-8/h5-6H,4,14H2,1-3H3,(H2,15,17)
InChIKeyAXXNTFJEXBNCPU-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 10038414) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID10038414
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(CC(C)C)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C13H17N3OS/c1-6(2)4-8-5-7(3)9-10(14)11(12(15)17)18-13(9)16-8/h5-6H,4,14H2,1-3H3,(H2,15,17)
InChIKeyAXXNTFJEXBNCPU-UHFFFAOYSA-N
XLogP2.48
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide (CID 10038414) is 3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(CC(C)C)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AXXNTFJEXBNCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-6(2)4-8-5-7(3)9-10(14)11(12(15)17)18-13(9)16-8/h5-6H,4,14H2,1-3H3,(H2,15,17).
What are the key properties of 3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 10038414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).