1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole

C27H32N2O — CID 67291825

IUPAC1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole
SMILESCCOc1cc(-c2c(CC)cccc2CC)nc(C)c1CN1CCc2ccccc21
InChIInChI=1S/C27H32N2O/c1-5-20-12-10-13-21(6-2)27(20)24-17-26(30-7-3)23(19(4)28-24)18-29-16-15-22-11-8-9-14-25(22)29/h8-14,17H,5-7,15-16,18H2,1-4H3
InChIKeySLXIAPUWGNUXGL-UHFFFAOYSA-N
MW400.57 g/mol
LogP6.14
Rot. Bonds7

About 1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole

1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole (PubChem CID 67291825) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole
PubChem CID67291825
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole
SMILESCCOc1cc(-c2c(CC)cccc2CC)nc(C)c1CN1CCc2ccccc21
InChIInChI=1S/C27H32N2O/c1-5-20-12-10-13-21(6-2)27(20)24-17-26(30-7-3)23(19(4)28-24)18-29-16-15-22-11-8-9-14-25(22)29/h8-14,17H,5-7,15-16,18H2,1-4H3
InChIKeySLXIAPUWGNUXGL-UHFFFAOYSA-N
XLogP6.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole?
The IUPAC name of 1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole (CID 67291825) is 1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole is CCOc1cc(-c2c(CC)cccc2CC)nc(C)c1CN1CCc2ccccc21.
What is the InChIKey of 1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole?
The InChIKey is SLXIAPUWGNUXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-5-20-12-10-13-21(6-2)27(20)24-17-26(30-7-3)23(19(4)28-24)18-29-16-15-22-11-8-9-14-25(22)29/h8-14,17H,5-7,15-16,18H2,1-4H3.
What are the key properties of 1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole?
1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole has a molecular weight of 400.57 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole is sourced from PubChem (CID 67291825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).