6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide

C22H23N3O4 — CID 170509914

About 6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide

6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide (PubChem CID 170509914) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide
• PubChem CID: 170509914
• Molecular Formula: C22H23N3O4
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.17
• IUPAC Name: 6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide
• SMILES: Cc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)NCC1CNC(=O)C1
• InChI: InChI=1S/C22H23N3O4/c1-13-8-16(7-6-15-12-23-18-5-3-2-4-17(15)18)29-22(28)20(13)21(27)25-11-14-9-19(26)24-10-14/h2-5,8,12,14,23H,6-7,9-11H2,1H3,(H,24,26)(H,25,27)
• InChIKey: ZNEWWXGDOSOOGX-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 104.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide?

The IUPAC name of 6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide (CID 170509914) is 6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide.

What is the SMILES notation for 6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide?

The canonical SMILES for 6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide is Cc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)NCC1CNC(=O)C1.

What is the InChIKey of 6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide?

The InChIKey is ZNEWWXGDOSOOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13-8-16(7-6-15-12-23-18-5-3-2-4-17(15)18)29-22(28)20(13)21(27)25-11-14-9-19(26)24-10-14/h2-5,8,12,14,23H,6-7,9-11H2,1H3,(H,24,26)(H,25,27).

What are the key properties of 6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide?

6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide is sourced from PubChem (CID 170509914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).