4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide

C20H15N3OS — CID 25218748

IUPAC4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H15N3OS/c21-20(24)18-10-16-17(11-22-12-19(16)25-18)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,23H,(H2,21,24)
InChIKeyYACIXZIFUVIOBZ-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.81
Rot. Bonds4

About 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide

4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 25218748) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID25218748
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H15N3OS/c21-20(24)18-10-16-17(11-22-12-19(16)25-18)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,23H,(H2,21,24)
InChIKeyYACIXZIFUVIOBZ-UHFFFAOYSA-N
XLogP4.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-phenylanilino)thieno[2,3-c]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 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide (CID 25218748) is 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is YACIXZIFUVIOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c21-20(24)18-10-16-17(11-22-12-19(16)25-18)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,23H,(H2,21,24).
What are the key properties of 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide?
4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 25218748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).