3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine

C24H24N2O — CID 54456140

IUPAC3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine
SMILESCOc1ccc(-c2cncc(CC3CC(c4ccccc4)=CCN3)c2)cc1
InChIInChI=1S/C24H24N2O/c1-27-24-9-7-20(8-10-24)22-13-18(16-25-17-22)14-23-15-21(11-12-26-23)19-5-3-2-4-6-19/h2-11,13,16-17,23,26H,12,14-15H2,1H3
InChIKeyWYIANFWRXIHVFC-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.75
Rot. Bonds5

About 3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine

3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine (PubChem CID 54456140) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine
PubChem CID54456140
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine
SMILESCOc1ccc(-c2cncc(CC3CC(c4ccccc4)=CCN3)c2)cc1
InChIInChI=1S/C24H24N2O/c1-27-24-9-7-20(8-10-24)22-13-18(16-25-17-22)14-23-15-21(11-12-26-23)19-5-3-2-4-6-19/h2-11,13,16-17,23,26H,12,14-15H2,1H3
InChIKeyWYIANFWRXIHVFC-UHFFFAOYSA-N
XLogP4.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine (CID 54456140) is 3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine is COc1ccc(-c2cncc(CC3CC(c4ccccc4)=CCN3)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine?
The InChIKey is WYIANFWRXIHVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-27-24-9-7-20(8-10-24)22-13-18(16-25-17-22)14-23-15-21(11-12-26-23)19-5-3-2-4-6-19/h2-11,13,16-17,23,26H,12,14-15H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine?
3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine has a molecular weight of 356.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine is sourced from PubChem (CID 54456140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).