N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C22H20N4O4S — CID 38627107

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 38627107) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
• PubChem CID: 38627107
• Molecular Formula: C22H20N4O4S
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.12
• IUPAC Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
• SMILES: COc1ccc(NC(=O)CCn2cnc3sccc3c2=O)cc1OCc1cccnc1
• InChI: InChI=1S/C22H20N4O4S/c1-29-18-5-4-16(11-19(18)30-13-15-3-2-8-23-12-15)25-20(27)6-9-26-14-24-21-17(22(26)28)7-10-31-21/h2-5,7-8,10-12,14H,6,9,13H2,1H3,(H,25,27)
• InChIKey: JBQAZKHOZQOOTK-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?

The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 38627107) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?

The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is COc1ccc(NC(=O)CCn2cnc3sccc3c2=O)cc1OCc1cccnc1.

What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?

The InChIKey is JBQAZKHOZQOOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-29-18-5-4-16(11-19(18)30-13-15-3-2-8-23-12-15)25-20(27)6-9-26-14-24-21-17(22(26)28)7-10-31-21/h2-5,7-8,10-12,14H,6,9,13H2,1H3,(H,25,27).

What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 436.49 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 38627107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).