2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C19H20N4O2 — CID 47013091

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc2c(c1)CCC2)c1nnc2ccccn12
InChIInChI=1S/C19H20N4O2/c1-13(19-22-21-17-7-2-3-10-23(17)19)20-18(24)12-25-16-9-8-14-5-4-6-15(14)11-16/h2-3,7-11,13H,4-6,12H2,1H3,(H,20,24)
InChIKeyGWPUCPKUHXKLAT-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.47
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 47013091) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID47013091
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc2c(c1)CCC2)c1nnc2ccccn12
InChIInChI=1S/C19H20N4O2/c1-13(19-22-21-17-7-2-3-10-23(17)19)20-18(24)12-25-16-9-8-14-5-4-6-15(14)11-16/h2-3,7-11,13H,4-6,12H2,1H3,(H,20,24)
InChIKeyGWPUCPKUHXKLAT-UHFFFAOYSA-N
XLogP2.47
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 47013091) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is CC(NC(=O)COc1ccc2c(c1)CCC2)c1nnc2ccccn12.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is GWPUCPKUHXKLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(19-22-21-17-7-2-3-10-23(17)19)20-18(24)12-25-16-9-8-14-5-4-6-15(14)11-16/h2-3,7-11,13H,4-6,12H2,1H3,(H,20,24).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 47013091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).