3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine

C21H19NO — CID 141482512

IUPAC3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine
SMILESC=CCOc1nc(-c2ccccc2)cc(-c2ccccc2)c1C
InChIInChI=1S/C21H19NO/c1-3-14-23-21-16(2)19(17-10-6-4-7-11-17)15-20(22-21)18-12-8-5-9-13-18/h3-13,15H,1,14H2,2H3
InChIKeyUWMNMOHWZAWGAY-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.29
Rot. Bonds5

About 3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine

3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine (PubChem CID 141482512) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine.

Molecular Properties

Compound Name3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine
PubChem CID141482512
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine
SMILESC=CCOc1nc(-c2ccccc2)cc(-c2ccccc2)c1C
InChIInChI=1S/C21H19NO/c1-3-14-23-21-16(2)19(17-10-6-4-7-11-17)15-20(22-21)18-12-8-5-9-13-18/h3-13,15H,1,14H2,2H3
InChIKeyUWMNMOHWZAWGAY-UHFFFAOYSA-N
XLogP5.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine
CID 141482511
3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
CID 162617775
4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine
CID 58692950
2-phenyl-6-prop-2-enoxypyridine
CID 3537751
2-but-3-enyl-4,6-diphenylpyridine
CID 138981640
6-(2-bromophenyl)-4-(4-nitrophenyl)-3-phenyl-2-prop-2-enoxypyridine
CID 56958492
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
2-methyl-4,6-diphenylpyridine
CID 618669
4-[4-(2,6-diphenyl-4-pyridinyl)-2,3,5,6-tetramethylphenyl]-2,6-diphenylpyridine
CID 58692905
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130260993
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine?
The IUPAC name of 3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine (CID 141482512) is 3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine.
What is the SMILES notation for 3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine?
The canonical SMILES for 3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine is C=CCOc1nc(-c2ccccc2)cc(-c2ccccc2)c1C.
What is the InChIKey of 3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine?
The InChIKey is UWMNMOHWZAWGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-3-14-23-21-16(2)19(17-10-6-4-7-11-17)15-20(22-21)18-12-8-5-9-13-18/h3-13,15H,1,14H2,2H3.
What are the key properties of 3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine?
3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine has a molecular weight of 301.39 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine is sourced from PubChem (CID 141482512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).