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

C24H26N4O2 — CID 170384297

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

[6-[2-(methyliminomethyl)phenyl]-3-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol (PubChem CID 170384297) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [6-[2-(methyliminomethyl)phenyl]-3-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [6-[2-(methyliminomethyl)phenyl]-3-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
• PubChem CID: 170384297
• Molecular Formula: C24H26N4O2
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.21
• IUPAC Name: [6-[2-(methyliminomethyl)phenyl]-3-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
• SMILES: C/N=C/c1ccccc1-c1ccc(N2CC[C@H](Oc3ncccc3C)C2)c(CO)n1
• InChI: InChI=1S/C24H26N4O2/c1-17-6-5-12-26-24(17)30-19-11-13-28(15-19)23-10-9-21(27-22(23)16-29)20-8-4-3-7-18(20)14-25-2/h3-10,12,14,19,29H,11,13,15-16H2,1-2H3/b25-14+/t19-/m0/s1
• InChIKey: DEXZNWWHFWDCEI-CPUXBYDOSA-N
• XLogP: 3.65
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [6-[2-(methyliminomethyl)phenyl]-3-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol (CID 170384297) is [6-[2-(methyliminomethyl)phenyl]-3-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol.

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

The canonical SMILES for [6-[2-(methyliminomethyl)phenyl]-3-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol is C/N=C/c1ccccc1-c1ccc(N2CC[C@H](Oc3ncccc3C)C2)c(CO)n1.

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

The InChIKey is DEXZNWWHFWDCEI-CPUXBYDOSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-6-5-12-26-24(17)30-19-11-13-28(15-19)23-10-9-21(27-22(23)16-29)20-8-4-3-7-18(20)14-25-2/h3-10,12,14,19,29H,11,13,15-16H2,1-2H3/b25-14+/t19-/m0/s1.

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

[6-[2-(methyliminomethyl)phenyl]-3-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol has a molecular weight of 402.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-(methyliminomethyl)phenyl]-3-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 170384297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).