N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide

C23H28N6O2 — CID 78818292

IUPACN-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CN1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C23H28N6O2/c1-2-17-7-3-4-8-19(17)25-21(30)15-24-22(31)16-28-13-10-18(11-14-28)23-27-26-20-9-5-6-12-29(20)23/h3-9,12,18H,2,10-11,13-16H2,1H3,(H,24,31)(H,25,30)
InChIKeyHLZQSLTWDMODEL-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.23
Rot. Bonds7

About N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide

N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide (PubChem CID 78818292) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide
PubChem CID78818292
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CN1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C23H28N6O2/c1-2-17-7-3-4-8-19(17)25-21(30)15-24-22(31)16-28-13-10-18(11-14-28)23-27-26-20-9-5-6-12-29(20)23/h3-9,12,18H,2,10-11,13-16H2,1H3,(H,24,31)(H,25,30)
InChIKeyHLZQSLTWDMODEL-UHFFFAOYSA-N
XLogP2.23
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 86908992
N-(2,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818080
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818259
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818249
N-[(1-phenylcyclopentyl)methyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78841683
N-(3-methoxyphenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 95188322
N-(2-ethylphenyl)-2-[[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetyl]amino]acetamide
CID 78899179
2-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 120775680
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 86915581
2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8540795
methyl 2-[[2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]benzoate
CID 119039032
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78841970

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide (CID 78818292) is N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide is CCc1ccccc1NC(=O)CNC(=O)CN1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide?
The InChIKey is HLZQSLTWDMODEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-2-17-7-3-4-8-19(17)25-21(30)15-24-22(31)16-28-13-10-18(11-14-28)23-27-26-20-9-5-6-12-29(20)23/h3-9,12,18H,2,10-11,13-16H2,1H3,(H,24,31)(H,25,30).
What are the key properties of N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide?
N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide has a molecular weight of 420.52 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 78818292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).