6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile

C21H32N4O3Si — CID 174040385

About 6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile

6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 174040385) has the molecular formula C21H32N4O3Si and a molecular weight of 416.60 g/mol. Its IUPAC name is 6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
• PubChem CID: 174040385
• Molecular Formula: C21H32N4O3Si
• Molecular Weight: 416.60 g/mol
• Exact Mass: 416.22
• IUPAC Name: 6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
• SMILES: CC(C)(C)[Si](C)(C)OC1CN(c2ccc(C#N)cn2)CC[C@H]1N1CC[C@@H](O)C1=O
• InChI: InChI=1S/C21H32N4O3Si/c1-21(2,3)29(4,5)28-18-14-24(19-7-6-15(12-22)13-23-19)10-8-16(18)25-11-9-17(26)20(25)27/h6-7,13,16-18,26H,8-11,14H2,1-5H3/t16-,17-,18?/m1/s1
• InChIKey: IFTWHVPTHWFGTN-OWZOALSMSA-N
• XLogP: 2.52
• TPSA: 89.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.60
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile?

The IUPAC name of 6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile (CID 174040385) is 6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile is CC(C)(C)[Si](C)(C)OC1CN(c2ccc(C#N)cn2)CC[C@H]1N1CC[C@@H](O)C1=O.

What is the InChIKey of 6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile?

The InChIKey is IFTWHVPTHWFGTN-OWZOALSMSA-N. The full InChI is InChI=1S/C21H32N4O3Si/c1-21(2,3)29(4,5)28-18-14-24(19-7-6-15(12-22)13-23-19)10-8-16(18)25-11-9-17(26)20(25)27/h6-7,13,16-18,26H,8-11,14H2,1-5H3/t16-,17-,18?/m1/s1.

What are the key properties of 6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile?

6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 416.60 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 174040385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).