3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

C24H22N2O — CID 24877523

About 3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 24877523) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

• Compound Name: 3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
• PubChem CID: 24877523
• Molecular Formula: C24H22N2O
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.17
• IUPAC Name: 3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
• SMILES: COc1ccccc1-c1cccc(/C=C2\CCCN=C2c2cccnc2)c1
• InChI: InChI=1S/C24H22N2O/c1-27-23-12-3-2-11-22(23)19-8-4-7-18(15-19)16-20-9-6-14-26-24(20)21-10-5-13-25-17-21/h2-5,7-8,10-13,15-17H,6,9,14H2,1H3/b20-16+
• InChIKey: ITVDPCHNKBWEBD-CAPFRKAQSA-N
• XLogP: 5.42
• TPSA: 34.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?

The IUPAC name of 3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 24877523) is 3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

What is the SMILES notation for 3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?

The canonical SMILES for 3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is COc1ccccc1-c1cccc(/C=C2\CCCN=C2c2cccnc2)c1.

What is the InChIKey of 3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?

The InChIKey is ITVDPCHNKBWEBD-CAPFRKAQSA-N. The full InChI is InChI=1S/C24H22N2O/c1-27-23-12-3-2-11-22(23)19-8-4-7-18(15-19)16-20-9-6-14-26-24(20)21-10-5-13-25-17-21/h2-5,7-8,10-13,15-17H,6,9,14H2,1H3/b20-16+.

What are the key properties of 3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?

3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 354.45 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 24877523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).