6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine

C26H34N2O — CID 67291713

IUPAC6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine
SMILESCCOc1cc(-c2c(CC)cccc2CC)nc(C)c1CN1C=C(C)C=C(C)C1
InChIInChI=1S/C26H34N2O/c1-7-21-11-10-12-22(8-2)26(21)24-14-25(29-9-3)23(20(6)27-24)17-28-15-18(4)13-19(5)16-28/h10-15H,7-9,16-17H2,1-6H3
InChIKeyYKRNPHYSLBHAOP-UHFFFAOYSA-N
MW390.57 g/mol
LogP6.25
Rot. Bonds7

About 6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine

6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine (PubChem CID 67291713) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine
PubChem CID67291713
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine
SMILESCCOc1cc(-c2c(CC)cccc2CC)nc(C)c1CN1C=C(C)C=C(C)C1
InChIInChI=1S/C26H34N2O/c1-7-21-11-10-12-22(8-2)26(21)24-14-25(29-9-3)23(20(6)27-24)17-28-15-18(4)13-19(5)16-28/h10-15H,7-9,16-17H2,1-6H3
InChIKeyYKRNPHYSLBHAOP-UHFFFAOYSA-N
XLogP6.25
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine?
The IUPAC name of 6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine (CID 67291713) is 6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine.
What is the SMILES notation for 6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine?
The canonical SMILES for 6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine is CCOc1cc(-c2c(CC)cccc2CC)nc(C)c1CN1C=C(C)C=C(C)C1.
What is the InChIKey of 6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine?
The InChIKey is YKRNPHYSLBHAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c1-7-21-11-10-12-22(8-2)26(21)24-14-25(29-9-3)23(20(6)27-24)17-28-15-18(4)13-19(5)16-28/h10-15H,7-9,16-17H2,1-6H3.
What are the key properties of 6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine?
6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine has a molecular weight of 390.57 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine is sourced from PubChem (CID 67291713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).