2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine

C27H33NO2 — CID 66993710

IUPAC2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine
SMILESCCc1cccc(CC)c1-c1nc(C)c(COc2cc(C)cc(C)c2)c(OC)c1C
InChIInChI=1S/C27H33NO2/c1-8-21-11-10-12-22(9-2)25(21)26-19(5)27(29-7)24(20(6)28-26)16-30-23-14-17(3)13-18(4)15-23/h10-15H,8-9,16H2,1-7H3
InChIKeyRECKMWWNBOAWQL-UHFFFAOYSA-N
MW403.57 g/mol
LogP6.69
Rot. Bonds7

About 2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine

2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine (PubChem CID 66993710) has the molecular formula C27H33NO2 and a molecular weight of 403.57 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine
PubChem CID66993710
Molecular FormulaC27H33NO2
Molecular Weight403.57 g/mol
Exact Mass403.25
IUPAC Name2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine
SMILESCCc1cccc(CC)c1-c1nc(C)c(COc2cc(C)cc(C)c2)c(OC)c1C
InChIInChI=1S/C27H33NO2/c1-8-21-11-10-12-22(9-2)25(21)26-19(5)27(29-7)24(20(6)28-26)16-30-23-14-17(3)13-18(4)15-23/h10-15H,8-9,16H2,1-7H3
InChIKeyRECKMWWNBOAWQL-UHFFFAOYSA-N
XLogP6.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine?
The IUPAC name of 2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine (CID 66993710) is 2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine?
The canonical SMILES for 2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine is CCc1cccc(CC)c1-c1nc(C)c(COc2cc(C)cc(C)c2)c(OC)c1C.
What is the InChIKey of 2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine?
The InChIKey is RECKMWWNBOAWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO2/c1-8-21-11-10-12-22(9-2)25(21)26-19(5)27(29-7)24(20(6)28-26)16-30-23-14-17(3)13-18(4)15-23/h10-15H,8-9,16H2,1-7H3.
What are the key properties of 2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine?
2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine has a molecular weight of 403.57 g/mol, XLogP of 6.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-5-[(3,5-dimethylphenoxy)methyl]-4-methoxy-3,6-dimethylpyridine is sourced from PubChem (CID 66993710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).