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

C24H27N3O2 — CID 156815636

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

[6-(2-ethylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol (PubChem CID 156815636) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is [6-(2-ethylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [6-(2-ethylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
• PubChem CID: 156815636
• Molecular Formula: C24H27N3O2
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.21
• IUPAC Name: [6-(2-ethylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
• SMILES: CCc1ccccc1-c1ccc(N2CC[C@H](Oc3ccc(C)cn3)C2)c(CO)n1
• InChI: InChI=1S/C24H27N3O2/c1-3-18-6-4-5-7-20(18)21-9-10-23(22(16-28)26-21)27-13-12-19(15-27)29-24-11-8-17(2)14-25-24/h4-11,14,19,28H,3,12-13,15-16H2,1-2H3/t19-/m0/s1
• InChIKey: HUTJJHUSSYTYNG-IBGZPJMESA-N
• XLogP: 4.16
• 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	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [6-(2-ethylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol (CID 156815636) is [6-(2-ethylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol.

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

The canonical SMILES for [6-(2-ethylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol is CCc1ccccc1-c1ccc(N2CC[C@H](Oc3ccc(C)cn3)C2)c(CO)n1.

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

The InChIKey is HUTJJHUSSYTYNG-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-18-6-4-5-7-20(18)21-9-10-23(22(16-28)26-21)27-13-12-19(15-27)29-24-11-8-17(2)14-25-24/h4-11,14,19,28H,3,12-13,15-16H2,1-2H3/t19-/m0/s1.

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

[6-(2-ethylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol has a molecular weight of 389.50 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-ethylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 156815636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).