(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C21H22N4O3 — CID 95098315

About (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 95098315) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
• PubChem CID: 95098315
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
• SMILES: CC(=O)N1CCc2cc(N3C[C@H](C(=O)NCc4cccnc4)CC3=O)ccc21
• InChI: InChI=1S/C21H22N4O3/c1-14(26)24-8-6-16-9-18(4-5-19(16)24)25-13-17(10-20(25)27)21(28)23-12-15-3-2-7-22-11-15/h2-5,7,9,11,17H,6,8,10,12-13H2,1H3,(H,23,28)/t17-/m1/s1
• InChIKey: NVYFCZVFIYARPF-QGZVFWFLSA-N
• XLogP: 1.66
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 95098315) is (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

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

The canonical SMILES for (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CC(=O)N1CCc2cc(N3C[C@H](C(=O)NCc4cccnc4)CC3=O)ccc21.

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

The InChIKey is NVYFCZVFIYARPF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14(26)24-8-6-16-9-18(4-5-19(16)24)25-13-17(10-20(25)27)21(28)23-12-15-3-2-7-22-11-15/h2-5,7,9,11,17H,6,8,10,12-13H2,1H3,(H,23,28)/t17-/m1/s1.

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

(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95098315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).