N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide

C18H27N3O3 — CID 129329743

About N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide

N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide (PubChem CID 129329743) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide.

Molecular Properties

• Compound Name: N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
• PubChem CID: 129329743
• Molecular Formula: C18H27N3O3
• Molecular Weight: 333.43 g/mol
• Exact Mass: 333.21
• IUPAC Name: N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
• SMILES: CN1CC[C@@H](CNC(=O)COC[C@@H]2CCCO2)[C@@H]1c1cccnc1
• InChI: InChI=1S/C18H27N3O3/c1-21-8-6-15(18(21)14-4-2-7-19-10-14)11-20-17(22)13-23-12-16-5-3-9-24-16/h2,4,7,10,15-16,18H,3,5-6,8-9,11-13H2,1H3,(H,20,22)/t15-,16-,18-/m0/s1
• InChIKey: GKPALRFHXBWKQH-BQFCYCMXSA-N
• XLogP: 1.39
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.43
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?

The IUPAC name of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide (CID 129329743) is N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide.

What is the SMILES notation for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?

The canonical SMILES for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide is CN1CC[C@@H](CNC(=O)COC[C@@H]2CCCO2)[C@@H]1c1cccnc1.

What is the InChIKey of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?

The InChIKey is GKPALRFHXBWKQH-BQFCYCMXSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-21-8-6-15(18(21)14-4-2-7-19-10-14)11-20-17(22)13-23-12-16-5-3-9-24-16/h2,4,7,10,15-16,18H,3,5-6,8-9,11-13H2,1H3,(H,20,22)/t15-,16-,18-/m0/s1.

What are the key properties of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?

N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide is sourced from PubChem (CID 129329743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).