4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide

C23H18BrN3O3 — CID 50802572

About 4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide

4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide (PubChem CID 50802572) has the molecular formula C23H18BrN3O3 and a molecular weight of 464.32 g/mol. Its IUPAC name is 4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
• PubChem CID: 50802572
• Molecular Formula: C23H18BrN3O3
• Molecular Weight: 464.32 g/mol
• Exact Mass: 463.05
• IUPAC Name: 4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
• SMILES: Cc1ccc2nc(COc3cccc(NC(=O)c4ccc(Br)cc4)c3)cc(=O)n2c1
• InChI: InChI=1S/C23H18BrN3O3/c1-15-5-10-21-25-19(12-22(28)27(21)13-15)14-30-20-4-2-3-18(11-20)26-23(29)16-6-8-17(24)9-7-16/h2-13H,14H2,1H3,(H,26,29)
• InChIKey: RASNZZPDTFMKQO-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.32
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?

The IUPAC name of 4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide (CID 50802572) is 4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide.

What is the SMILES notation for 4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?

The canonical SMILES for 4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide is Cc1ccc2nc(COc3cccc(NC(=O)c4ccc(Br)cc4)c3)cc(=O)n2c1.

What is the InChIKey of 4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?

The InChIKey is RASNZZPDTFMKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O3/c1-15-5-10-21-25-19(12-22(28)27(21)13-15)14-30-20-4-2-3-18(11-20)26-23(29)16-6-8-17(24)9-7-16/h2-13H,14H2,1H3,(H,26,29).

What are the key properties of 4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?

4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide has a molecular weight of 464.32 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 50802572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).