2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide

C16H15N3O2S — CID 109396395

IUPAC2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide
SMILESO=C(CO)Nc1cccc(NCc2cnc3ccsc3c2)c1
InChIInChI=1S/C16H15N3O2S/c20-10-16(21)19-13-3-1-2-12(7-13)17-8-11-6-15-14(18-9-11)4-5-22-15/h1-7,9,17,20H,8,10H2,(H,19,21)
InChIKeyOKEPJOYTTILNCE-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.84
Rot. Bonds5

About 2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide

2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide (PubChem CID 109396395) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide
PubChem CID109396395
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide
SMILESO=C(CO)Nc1cccc(NCc2cnc3ccsc3c2)c1
InChIInChI=1S/C16H15N3O2S/c20-10-16(21)19-13-3-1-2-12(7-13)17-8-11-6-15-14(18-9-11)4-5-22-15/h1-7,9,17,20H,8,10H2,(H,19,21)
InChIKeyOKEPJOYTTILNCE-UHFFFAOYSA-N
XLogP2.84
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide 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 2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide?
The IUPAC name of 2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide (CID 109396395) is 2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide is O=C(CO)Nc1cccc(NCc2cnc3ccsc3c2)c1.
What is the InChIKey of 2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide?
The InChIKey is OKEPJOYTTILNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-10-16(21)19-13-3-1-2-12(7-13)17-8-11-6-15-14(18-9-11)4-5-22-15/h1-7,9,17,20H,8,10H2,(H,19,21).
What are the key properties of 2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide?
2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 109396395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).