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

C25H23N3O5 — CID 46356587

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

3,4-dimethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide (PubChem CID 46356587) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dimethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
• PubChem CID: 46356587
• Molecular Formula: C25H23N3O5
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.16
• IUPAC Name: 3,4-dimethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
• SMILES: COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1OC
• InChI: InChI=1S/C25H23N3O5/c1-16-7-10-23-26-19(13-24(29)28(23)14-16)15-33-20-6-4-5-18(12-20)27-25(30)17-8-9-21(31-2)22(11-17)32-3/h4-14H,15H2,1-3H3,(H,27,30)
• InChIKey: QMJWYZWROMEEHV-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3,4-dimethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide (CID 46356587) is 3,4-dimethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide.

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

The canonical SMILES for 3,4-dimethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1OC.

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

The InChIKey is QMJWYZWROMEEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-16-7-10-23-26-19(13-24(29)28(23)14-16)15-33-20-6-4-5-18(12-20)27-25(30)17-8-9-21(31-2)22(11-17)32-3/h4-14H,15H2,1-3H3,(H,27,30).

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

3,4-dimethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide has a molecular weight of 445.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 46356587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).