N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide

C29H31N5O4 — CID 69458524

About N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide

N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide (PubChem CID 69458524) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide
• PubChem CID: 69458524
• Molecular Formula: C29H31N5O4
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.24
• IUPAC Name: N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2cc(CN3C(=O)N(c4ccc5c(c4)NCC5(C)C)C(=O)C3(C)C)ccn2)cc1
• InChI: InChI=1S/C29H31N5O4/c1-28(2)17-31-23-15-20(8-11-22(23)28)34-26(36)29(3,4)33(27(34)37)16-18-12-13-30-24(14-18)32-25(35)19-6-9-21(38-5)10-7-19/h6-15,31H,16-17H2,1-5H3,(H,30,32,35)
• InChIKey: LGVYEFATRQZWQW-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide?

The IUPAC name of N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide (CID 69458524) is N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide.

What is the SMILES notation for N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide?

The canonical SMILES for N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(CN3C(=O)N(c4ccc5c(c4)NCC5(C)C)C(=O)C3(C)C)ccn2)cc1.

What is the InChIKey of N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide?

The InChIKey is LGVYEFATRQZWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-28(2)17-31-23-15-20(8-11-22(23)28)34-26(36)29(3,4)33(27(34)37)16-18-12-13-30-24(14-18)32-25(35)19-6-9-21(38-5)10-7-19/h6-15,31H,16-17H2,1-5H3,(H,30,32,35).

What are the key properties of N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide?

N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide has a molecular weight of 513.60 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 69458524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).