2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol

C24H27N3O2 — CID 156815292

About 2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol

2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol (PubChem CID 156815292) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol.

Molecular Properties

• Compound Name: 2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol
• PubChem CID: 156815292
• Molecular Formula: C24H27N3O2
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.21
• IUPAC Name: 2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol
• SMILES: Cc1ccc(O[C@H]2CCN(c3ccc(-c4ccccc4C)nc3CCO)C2)nc1
• InChI: InChI=1S/C24H27N3O2/c1-17-7-10-24(25-15-17)29-19-11-13-27(16-19)23-9-8-21(26-22(23)12-14-28)20-6-4-3-5-18(20)2/h3-10,15,19,28H,11-14,16H2,1-2H3/t19-/m0/s1
• InChIKey: UCNPEXSBWPSRKY-IBGZPJMESA-N
• XLogP: 3.95
• TPSA: 58.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol?

The IUPAC name of 2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol (CID 156815292) is 2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol.

What is the SMILES notation for 2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol?

The canonical SMILES for 2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol is Cc1ccc(O[C@H]2CCN(c3ccc(-c4ccccc4C)nc3CCO)C2)nc1.

What is the InChIKey of 2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol?

The InChIKey is UCNPEXSBWPSRKY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-7-10-24(25-15-17)29-19-11-13-27(16-19)23-9-8-21(26-22(23)12-14-28)20-6-4-3-5-18(20)2/h3-10,15,19,28H,11-14,16H2,1-2H3/t19-/m0/s1.

What are the key properties of 2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol?

2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol has a molecular weight of 389.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 156815292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).