3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile

C20H13N5OS — CID 23943401

IUPAC3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)nc2sc(C(=O)c3ccccn3)c(N)c2c1-c1ccccc1
InChIInChI=1S/C20H13N5OS/c21-10-12-14(11-6-2-1-3-7-11)15-16(22)18(27-20(15)25-19(12)23)17(26)13-8-4-5-9-24-13/h1-9H,22H2,(H2,23,25)
InChIKeyXFFDQUPGGCXEPF-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.63
Rot. Bonds3

About 3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile

3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 23943401) has the molecular formula C20H13N5OS and a molecular weight of 371.43 g/mol. Its IUPAC name is 3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID23943401
Molecular FormulaC20H13N5OS
Molecular Weight371.43 g/mol
Exact Mass371.08
IUPAC Name3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)nc2sc(C(=O)c3ccccn3)c(N)c2c1-c1ccccc1
InChIInChI=1S/C20H13N5OS/c21-10-12-14(11-6-2-1-3-7-11)15-16(22)18(27-20(15)25-19(12)23)17(26)13-8-4-5-9-24-13/h1-9H,22H2,(H2,23,25)
InChIKeyXFFDQUPGGCXEPF-UHFFFAOYSA-N
XLogP3.63
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile 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 3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile (CID 23943401) is 3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile is N#Cc1c(N)nc2sc(C(=O)c3ccccn3)c(N)c2c1-c1ccccc1.
What is the InChIKey of 3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is XFFDQUPGGCXEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5OS/c21-10-12-14(11-6-2-1-3-7-11)15-16(22)18(27-20(15)25-19(12)23)17(26)13-8-4-5-9-24-13/h1-9H,22H2,(H2,23,25).
What are the key properties of 3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile?
3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 371.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-4-phenyl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 23943401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).