2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide

C24H25N3O2 — CID 45194016

About 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 45194016) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
• PubChem CID: 45194016
• Molecular Formula: C24H25N3O2
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.19
• IUPAC Name: 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
• SMILES: Cc1c(CC(=O)NCc2ccncc2)c2c(n1Cc1ccccc1)CCCC2=O
• InChI: InChI=1S/C24H25N3O2/c1-17-20(14-23(29)26-15-18-10-12-25-13-11-18)24-21(8-5-9-22(24)28)27(17)16-19-6-3-2-4-7-19/h2-4,6-7,10-13H,5,8-9,14-16H2,1H3,(H,26,29)
• InChIKey: VWECVSNYWORMGK-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?

The IUPAC name of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 45194016) is 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.

What is the SMILES notation for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?

The canonical SMILES for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is Cc1c(CC(=O)NCc2ccncc2)c2c(n1Cc1ccccc1)CCCC2=O.

What is the InChIKey of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?

The InChIKey is VWECVSNYWORMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-20(14-23(29)26-15-18-10-12-25-13-11-18)24-21(8-5-9-22(24)28)27(17)16-19-6-3-2-4-7-19/h2-4,6-7,10-13H,5,8-9,14-16H2,1H3,(H,26,29).

What are the key properties of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?

2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 387.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 45194016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).