2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide

C21H24N6O — CID 74236095

IUPAC2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCN(Cc1cccnc1)Cc1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C21H24N6O/c1-26(13-15-4-3-9-23-12-15)14-21-24-20(11-19(22)28)25-27(21)18-8-7-16-5-2-6-17(16)10-18/h3-4,7-10,12H,2,5-6,11,13-14H2,1H3,(H2,22,28)
InChIKeyJAIVSVBTVVCIPP-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.81
Rot. Bonds7

About 2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide

2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 74236095) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID74236095
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCN(Cc1cccnc1)Cc1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2
InChIInChI=1S/C21H24N6O/c1-26(13-15-4-3-9-23-12-15)14-21-24-20(11-19(22)28)25-27(21)18-8-7-16-5-2-6-17(16)10-18/h3-4,7-10,12H,2,5-6,11,13-14H2,1H3,(H2,22,28)
InChIKeyJAIVSVBTVVCIPP-UHFFFAOYSA-N
XLogP1.81
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide (CID 74236095) is 2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide is CN(Cc1cccnc1)Cc1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is JAIVSVBTVVCIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26(13-15-4-3-9-23-12-15)14-21-24-20(11-19(22)28)25-27(21)18-8-7-16-5-2-6-17(16)10-18/h3-4,7-10,12H,2,5-6,11,13-14H2,1H3,(H2,22,28).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-5-yl)-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 74236095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).