N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide

C25H25N3O4 — CID 71839534

About N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide (PubChem CID 71839534) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
• PubChem CID: 71839534
• Molecular Formula: C25H25N3O4
• Molecular Weight: 431.49 g/mol
• Exact Mass: 431.18
• IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
• SMILES: COc1ccc(CNC(=O)CC2c3ncccc3C(=O)N2c2ccc(C)cc2)cc1OC
• InChI: InChI=1S/C25H25N3O4/c1-16-6-9-18(10-7-16)28-20(24-19(25(28)30)5-4-12-26-24)14-23(29)27-15-17-8-11-21(31-2)22(13-17)32-3/h4-13,20H,14-15H2,1-3H3,(H,27,29)
• InChIKey: VQJDALNBPACSCG-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.49
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?

The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide (CID 71839534) is N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide.

What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?

The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide is COc1ccc(CNC(=O)CC2c3ncccc3C(=O)N2c2ccc(C)cc2)cc1OC.

What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?

The InChIKey is VQJDALNBPACSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-16-6-9-18(10-7-16)28-20(24-19(25(28)30)5-4-12-26-24)14-23(29)27-15-17-8-11-21(31-2)22(13-17)32-3/h4-13,20H,14-15H2,1-3H3,(H,27,29).

What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?

N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide has a molecular weight of 431.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 71839534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).