N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide

C20H23N7O3 — CID 171323338

IUPACN-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2nc3nc(N4CCCCC4)ccn3c2=O)cc1
InChIInChI=1S/C20H23N7O3/c1-14(28)21-15-5-7-16(8-6-15)22-18(29)13-27-20(30)26-12-9-17(23-19(26)24-27)25-10-3-2-4-11-25/h5-9,12H,2-4,10-11,13H2,1H3,(H,21,28)(H,22,29)
InChIKeyYAJPWEFRFWBHJO-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.48
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide

N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide (PubChem CID 171323338) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
PubChem CID171323338
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC NameN-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2nc3nc(N4CCCCC4)ccn3c2=O)cc1
InChIInChI=1S/C20H23N7O3/c1-14(28)21-15-5-7-16(8-6-15)22-18(29)13-27-20(30)26-12-9-17(23-19(26)24-27)25-10-3-2-4-11-25/h5-9,12H,2-4,10-11,13H2,1H3,(H,21,28)(H,22,29)
InChIKeyYAJPWEFRFWBHJO-UHFFFAOYSA-N
XLogP1.48
TPSA113.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[7-(azepan-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 53201385
2-[7-(azepan-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(3-methylphenyl)acetamide
CID 53201374
2-[7-(azepan-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(3-methoxyphenyl)acetamide
CID 53201380
2-(3-oxo-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95921785
N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
CID 53201453
N-(3-fluoro-4-methoxyphenyl)-2-(3-oxo-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
CID 53201454
methyl 2-[[2-(3-oxo-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetyl]amino]benzoate
CID 53201445
N-(2-methoxy-5-methylphenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
CID 171323344
N-[(2-chlorophenyl)methyl]-2-(3-oxo-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
CID 53201480
2-[(4-methylphenyl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
CID 95921774
2-[7-(4-fluoroanilino)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(4-methylphenyl)acetamide
CID 53201524
2-[11-(azepan-1-yl)-5-oxo-10-thia-3,4,6,8,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl]-N-(4-fluorophenyl)acetamide
CID 171146033

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide (CID 171323338) is N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cn2nc3nc(N4CCCCC4)ccn3c2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide?
The InChIKey is YAJPWEFRFWBHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-14(28)21-15-5-7-16(8-6-15)22-18(29)13-27-20(30)26-12-9-17(23-19(26)24-27)25-10-3-2-4-11-25/h5-9,12H,2-4,10-11,13H2,1H3,(H,21,28)(H,22,29).
What are the key properties of N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide?
N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide has a molecular weight of 409.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 171323338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).