1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine

C32H28N4O2 — CID 75731928

About 1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine

1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine (PubChem CID 75731928) has the molecular formula C32H28N4O2 and a molecular weight of 500.60 g/mol. Its IUPAC name is 1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine.

Molecular Properties

• Compound Name: 1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine
• PubChem CID: 75731928
• Molecular Formula: C32H28N4O2
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.22
• IUPAC Name: 1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine
• SMILES: C(=N/[C@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1ccc(OCc2ccccc2)cn1
• InChI: InChI=1S/C32H28N4O2/c1-3-9-25(10-4-1)23-38-29-16-15-28(34-21-29)20-36-32(27-11-5-2-6-12-27)24-37-22-26-14-17-31(35-19-26)30-13-7-8-18-33-30/h1-21,32H,22-24H2/b36-20+/t32-/m1/s1
• InChIKey: UYZGIODEBHYYPV-YWWZPSMVSA-N
• XLogP: 6.49
• TPSA: 69.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	0
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 1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine?

The IUPAC name of 1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine (CID 75731928) is 1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine.

What is the SMILES notation for 1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine?

The canonical SMILES for 1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine is C(=N/[C@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1ccc(OCc2ccccc2)cn1.

What is the InChIKey of 1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine?

The InChIKey is UYZGIODEBHYYPV-YWWZPSMVSA-N. The full InChI is InChI=1S/C32H28N4O2/c1-3-9-25(10-4-1)23-38-29-16-15-28(34-21-29)20-36-32(27-11-5-2-6-12-27)24-37-22-26-14-17-31(35-19-26)30-13-7-8-18-33-30/h1-21,32H,22-24H2/b36-20+/t32-/m1/s1.

What are the key properties of 1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine?

1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine has a molecular weight of 500.60 g/mol, XLogP of 6.49, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-phenylmethoxy-2-pyridinyl)-N-[(1S)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]methanimine is sourced from PubChem (CID 75731928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).