2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

C21H16N4O2 — CID 9021114

IUPAC2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCc1nnc2ccccn12
InChIInChI=1S/C21H16N4O2/c26-20(22-12-19-24-23-18-7-3-4-10-25(18)19)11-15-13-27-17-9-8-14-5-1-2-6-16(14)21(15)17/h1-10,13H,11-12H2,(H,22,26)
InChIKeyUDBNKJRZIKQWJG-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.49
Rot. Bonds4

About 2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (PubChem CID 9021114) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
PubChem CID9021114
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCc1nnc2ccccn12
InChIInChI=1S/C21H16N4O2/c26-20(22-12-19-24-23-18-7-3-4-10-25(18)19)11-15-13-27-17-9-8-14-5-1-2-6-16(14)21(15)17/h1-10,13H,11-12H2,(H,22,26)
InChIKeyUDBNKJRZIKQWJG-UHFFFAOYSA-N
XLogP3.49
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

2-(4-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021038
2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 9077912
2-(1-methylindol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 71702217
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
2-benzo[e][1]benzofuran-1-yl-N-(1,3-benzothiazol-2-ylmethyl)acetamide
CID 18110573
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589
2-(4-methylphenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 40709598
2-(3-aminophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 65349831
2-(4-bromophenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021117
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide
CID 29266482

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (CID 9021114) is 2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is O=C(Cc1coc2ccc3ccccc3c12)NCc1nnc2ccccn12.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is UDBNKJRZIKQWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-20(22-12-19-24-23-18-7-3-4-10-25(18)19)11-15-13-27-17-9-8-14-5-1-2-6-16(14)21(15)17/h1-10,13H,11-12H2,(H,22,26).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 356.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 9021114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).