4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide

C9H7ClN2OS — CID 139916052

IUPAC4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Cl)cncc2s1
InChIInChI=1S/C9H7ClN2OS/c1-11-9(13)7-2-5-6(10)3-12-4-8(5)14-7/h2-4H,1H3,(H,11,13)
InChIKeyJUDBQGBWONKOBX-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.31
Rot. Bonds1

About 4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide

4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 139916052) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID139916052
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Cl)cncc2s1
InChIInChI=1S/C9H7ClN2OS/c1-11-9(13)7-2-5-6(10)3-12-4-8(5)14-7/h2-4H,1H3,(H,11,13)
InChIKeyJUDBQGBWONKOBX-UHFFFAOYSA-N
XLogP2.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide (CID 139916052) is 4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(Cl)cncc2s1.
What is the InChIKey of 4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is JUDBQGBWONKOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c1-11-9(13)7-2-5-6(10)3-12-4-8(5)14-7/h2-4H,1H3,(H,11,13).
What are the key properties of 4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide?
4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 226.69 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 139916052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).