N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

C24H22N4O4S — CID 38627291

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 38627291) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
• PubChem CID: 38627291
• Molecular Formula: C24H22N4O4S
• Molecular Weight: 462.53 g/mol
• Exact Mass: 462.14
• IUPAC Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
• SMILES: COc1ccc(NC(=O)c2cccnc2SCc2cc(C)on2)cc1OCc1cccnc1
• InChI: InChI=1S/C24H22N4O4S/c1-16-11-19(28-32-16)15-33-24-20(6-4-10-26-24)23(29)27-18-7-8-21(30-2)22(12-18)31-14-17-5-3-9-25-13-17/h3-13H,14-15H2,1-2H3,(H,27,29)
• InChIKey: XPFUJLKHBRHZIC-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 99.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.53
LogP ≤ 5	4.91
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]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (CID 38627291) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2SCc2cc(C)on2)cc1OCc1cccnc1.

What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?

The InChIKey is XPFUJLKHBRHZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-16-11-19(28-32-16)15-33-24-20(6-4-10-26-24)23(29)27-18-7-8-21(30-2)22(12-18)31-14-17-5-3-9-25-13-17/h3-13H,14-15H2,1-2H3,(H,27,29).

What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.91, 9 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]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 38627291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).