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

C23H20ClN3O2 — CID 71839489

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

N-[(4-chlorophenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide (PubChem CID 71839489) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
• PubChem CID: 71839489
• Molecular Formula: C23H20ClN3O2
• Molecular Weight: 405.89 g/mol
• Exact Mass: 405.12
• IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
• SMILES: Cc1cccc(N2C(=O)c3cccnc3C2CC(=O)NCc2ccc(Cl)cc2)c1
• InChI: InChI=1S/C23H20ClN3O2/c1-15-4-2-5-18(12-15)27-20(22-19(23(27)29)6-3-11-25-22)13-21(28)26-14-16-7-9-17(24)10-8-16/h2-12,20H,13-14H2,1H3,(H,26,28)
• InChIKey: LFFRJWJHPVHSTK-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.89
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide (CID 71839489) is N-[(4-chlorophenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide.

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

The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide is Cc1cccc(N2C(=O)c3cccnc3C2CC(=O)NCc2ccc(Cl)cc2)c1.

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

The InChIKey is LFFRJWJHPVHSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-15-4-2-5-18(12-15)27-20(22-19(23(27)29)6-3-11-25-22)13-21(28)26-14-16-7-9-17(24)10-8-16/h2-12,20H,13-14H2,1H3,(H,26,28).

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

N-[(4-chlorophenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide has a molecular weight of 405.89 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 71839489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).