methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate

C20H23NO2 — CID 89396743

IUPACmethyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate
SMILESC=Cc1nc(-c2c(CC)cccc2CC)cc(C)c1C(=O)OC
InChIInChI=1S/C20H23NO2/c1-6-14-10-9-11-15(7-2)19(14)17-12-13(4)18(20(22)23-5)16(8-3)21-17/h8-12H,3,6-7H2,1-2,4-5H3
InChIKeyMOTNUNKNMGWVGY-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.61
Rot. Bonds5

About methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate

methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate (PubChem CID 89396743) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate
PubChem CID89396743
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namemethyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate
SMILESC=Cc1nc(-c2c(CC)cccc2CC)cc(C)c1C(=O)OC
InChIInChI=1S/C20H23NO2/c1-6-14-10-9-11-15(7-2)19(14)17-12-13(4)18(20(22)23-5)16(8-3)21-17/h8-12H,3,6-7H2,1-2,4-5H3
InChIKeyMOTNUNKNMGWVGY-UHFFFAOYSA-N
XLogP4.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-ethenyl-6-(1-iodosulfanyl-3-methylindol-4-yl)-4-methylpyridine-3-carboxylate
CID 129113824
methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate
CID 66993576
methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate
CID 59678159
2-(2,6-diethylphenyl)-4-methylquinoline
CID 101498276
methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate
CID 22930998
2-(2,6-diethylphenyl)-4,6-dimethylpyridine
CID 66994953
methyl 4-bromo-2-ethyl-6-methylbenzoate
CID 130064455
dimethyl 3-(2-ethyl-6-methylphenyl)-1-phenylpyrazole-4,5-dicarboxylate
CID 169388372
methyl 2-bromo-6-(2-oxopropyl)benzoate
CID 134648674
methyl 4-ethenyl-2-fluoro-6-methylbenzoate
CID 155482448
methyl 2-ethyl-6-(trifluoromethyl)benzoate
CID 162602543
methyl 4-[[2-(2-ethyl-6-methylanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112928934

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate (CID 89396743) is methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate is C=Cc1nc(-c2c(CC)cccc2CC)cc(C)c1C(=O)OC.
What is the InChIKey of methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate?
The InChIKey is MOTNUNKNMGWVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-6-14-10-9-11-15(7-2)19(14)17-12-13(4)18(20(22)23-5)16(8-3)21-17/h8-12H,3,6-7H2,1-2,4-5H3.
What are the key properties of methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate?
methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-diethylphenyl)-2-ethenyl-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 89396743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).