2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide

C25H24N2O3 — CID 24995499

IUPAC2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCc1cc(-c2ccc3c(c2)CC(CC(=O)NCc2cccnc2)C3=O)ccc1O
InChIInChI=1S/C25H24N2O3/c1-2-17-10-19(6-8-23(17)28)18-5-7-22-20(11-18)12-21(25(22)30)13-24(29)27-15-16-4-3-9-26-14-16/h3-11,14,21,28H,2,12-13,15H2,1H3,(H,27,29)
InChIKeyLAQWQHUNZZCYEC-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.08
Rot. Bonds6

About 2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 24995499) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID24995499
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCc1cc(-c2ccc3c(c2)CC(CC(=O)NCc2cccnc2)C3=O)ccc1O
InChIInChI=1S/C25H24N2O3/c1-2-17-10-19(6-8-23(17)28)18-5-7-22-20(11-18)12-21(25(22)30)13-24(29)27-15-16-4-3-9-26-14-16/h3-11,14,21,28H,2,12-13,15H2,1H3,(H,27,29)
InChIKeyLAQWQHUNZZCYEC-UHFFFAOYSA-N
XLogP4.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 24995499) is 2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide is CCc1cc(-c2ccc3c(c2)CC(CC(=O)NCc2cccnc2)C3=O)ccc1O.
What is the InChIKey of 2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is LAQWQHUNZZCYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-17-10-19(6-8-23(17)28)18-5-7-22-20(11-18)12-21(25(22)30)13-24(29)27-15-16-4-3-9-26-14-16/h3-11,14,21,28H,2,12-13,15H2,1H3,(H,27,29).
What are the key properties of 2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-ethyl-4-hydroxyphenyl)-3-oxo-1,2-dihydroinden-2-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 24995499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).