2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

C29H31N5O4 — CID 142473667

About 2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (PubChem CID 142473667) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
• PubChem CID: 142473667
• Molecular Formula: C29H31N5O4
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.24
• IUPAC Name: 2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
• SMILES: CNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)COC
• InChI: InChI=1S/C29H31N5O4/c1-30-15-20-6-3-4-7-21(20)16-34(26(36)18-38-2)17-25(35)32-23-10-9-19-13-29(14-22(19)12-23)24-8-5-11-31-27(24)33-28(29)37/h3-12,30H,13-18H2,1-2H3,(H,32,35)(H,31,33,37)
• InChIKey: AJJSBTDBCBJZPQ-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 112.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?

The IUPAC name of 2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (CID 142473667) is 2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

What is the SMILES notation for 2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?

The canonical SMILES for 2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is CNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)COC.

What is the InChIKey of 2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?

The InChIKey is AJJSBTDBCBJZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-30-15-20-6-3-4-7-21(20)16-34(26(36)18-38-2)17-25(35)32-23-10-9-19-13-29(14-22(19)12-23)24-8-5-11-31-27(24)33-28(29)37/h3-12,30H,13-18H2,1-2H3,(H,32,35)(H,31,33,37).

What are the key properties of 2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?

2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide has a molecular weight of 513.60 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is sourced from PubChem (CID 142473667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).