5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C15H17ClN2OS — CID 121479860

IUPAC5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NC3CCC3)c(C)c2c(C)c1Cl
InChIInChI=1S/C15H17ClN2OS/c1-7-11-8(2)13(14(19)18-10-5-4-6-10)20-15(11)17-9(3)12(7)16/h10H,4-6H2,1-3H3,(H,18,19)
InChIKeyABVNYKHUPRGXIK-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.16
Rot. Bonds2

About 5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 121479860) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID121479860
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NC3CCC3)c(C)c2c(C)c1Cl
InChIInChI=1S/C15H17ClN2OS/c1-7-11-8(2)13(14(19)18-10-5-4-6-10)20-15(11)17-9(3)12(7)16/h10H,4-6H2,1-3H3,(H,18,19)
InChIKeyABVNYKHUPRGXIK-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 121479860) is 5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)NC3CCC3)c(C)c2c(C)c1Cl.
What is the InChIKey of 5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ABVNYKHUPRGXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-7-11-8(2)13(14(19)18-10-5-4-6-10)20-15(11)17-9(3)12(7)16/h10H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 308.83 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 121479860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).