5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

C23H26N4O3 — CID 53200867

About 5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 53200867) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
• PubChem CID: 53200867
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: 5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
• SMILES: CCC(=O)N1CCc2cc(N3CC(C(=O)NC(C)c4ccccn4)CC3=O)ccc21
• InChI: InChI=1S/C23H26N4O3/c1-3-21(28)26-11-9-16-12-18(7-8-20(16)26)27-14-17(13-22(27)29)23(30)25-15(2)19-6-4-5-10-24-19/h4-8,10,12,15,17H,3,9,11,13-14H2,1-2H3,(H,25,30)
• InChIKey: NOFZTJLIYHRQNT-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?

The IUPAC name of 5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (CID 53200867) is 5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for 5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?

The canonical SMILES for 5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is CCC(=O)N1CCc2cc(N3CC(C(=O)NC(C)c4ccccn4)CC3=O)ccc21.

What is the InChIKey of 5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?

The InChIKey is NOFZTJLIYHRQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-21(28)26-11-9-16-12-18(7-8-20(16)26)27-14-17(13-22(27)29)23(30)25-15(2)19-6-4-5-10-24-19/h4-8,10,12,15,17H,3,9,11,13-14H2,1-2H3,(H,25,30).

What are the key properties of 5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?

5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 53200867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).