N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide

C25H25N3O2 — CID 53164256

About N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide

N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (PubChem CID 53164256) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
• PubChem CID: 53164256
• Molecular Formula: C25H25N3O2
• Molecular Weight: 399.49 g/mol
• Exact Mass: 399.19
• IUPAC Name: N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
• SMILES: Cc1cccc(Cn2ccc3ccn(CC(=O)Nc4cc(C)ccc4C)c(=O)c32)c1
• InChI: InChI=1S/C25H25N3O2/c1-17-5-4-6-20(13-17)15-27-11-9-21-10-12-28(25(30)24(21)27)16-23(29)26-22-14-18(2)7-8-19(22)3/h4-14H,15-16H2,1-3H3,(H,26,29)
• InChIKey: WGOBBQWEIRBFLG-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 56.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.49
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?

The IUPAC name of N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (CID 53164256) is N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.

What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?

The canonical SMILES for N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is Cc1cccc(Cn2ccc3ccn(CC(=O)Nc4cc(C)ccc4C)c(=O)c32)c1.

What is the InChIKey of N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?

The InChIKey is WGOBBQWEIRBFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-5-4-6-20(13-17)15-27-11-9-21-10-12-28(25(30)24(21)27)16-23(29)26-22-14-18(2)7-8-19(22)3/h4-14H,15-16H2,1-3H3,(H,26,29).

What are the key properties of N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?

N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 53164256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).