4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide

C20H17N3O2S — CID 118913665

IUPAC4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2cccc(OCc3ccncc3)c2)cc2sccc21
InChIInChI=1S/C20H17N3O2S/c1-23-17-7-10-26-19(17)12-18(23)20(24)22-15-3-2-4-16(11-15)25-13-14-5-8-21-9-6-14/h2-12H,13H2,1H3,(H,22,24)
InChIKeyGXBHKOLQVFLATK-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.47
Rot. Bonds5

About 4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide

4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 118913665) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID118913665
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2cccc(OCc3ccncc3)c2)cc2sccc21
InChIInChI=1S/C20H17N3O2S/c1-23-17-7-10-26-19(17)12-18(23)20(24)22-15-3-2-4-16(11-15)25-13-14-5-8-21-9-6-14/h2-12H,13H2,1H3,(H,22,24)
InChIKeyGXBHKOLQVFLATK-UHFFFAOYSA-N
XLogP4.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-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-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 118913665) is 4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)Nc2cccc(OCc3ccncc3)c2)cc2sccc21.
What is the InChIKey of 4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GXBHKOLQVFLATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-23-17-7-10-26-19(17)12-18(23)20(24)22-15-3-2-4-16(11-15)25-13-14-5-8-21-9-6-14/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of 4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide?
4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 118913665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).