N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

C22H26N6O2 — CID 78832807

IUPACN-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(Cc3nc(-c4cccnc4)no3)CC2)c1C
InChIInChI=1S/C22H26N6O2/c1-16-5-3-7-19(17(16)2)24-20(29)14-27-9-11-28(12-10-27)15-21-25-22(26-30-21)18-6-4-8-23-13-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,29)
InChIKeyMDKVQCKYBMWQDL-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.50
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 78832807) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID78832807
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(Cc3nc(-c4cccnc4)no3)CC2)c1C
InChIInChI=1S/C22H26N6O2/c1-16-5-3-7-19(17(16)2)24-20(29)14-27-9-11-28(12-10-27)15-21-25-22(26-30-21)18-6-4-8-23-13-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,29)
InChIKeyMDKVQCKYBMWQDL-UHFFFAOYSA-N
XLogP2.50
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30741289
1-morpholin-4-yl-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 55478105
N-(2,3-dimethylphenyl)-2-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177935
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 38155254
N-propan-2-yl-2-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide
CID 55622853
N-(2,3-dimethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
CID 27860014
(4-methoxyphenyl)-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 78848111
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 31001493
2-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 45281557
azepan-1-yl-[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 134011136
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052418

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 78832807) is N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(Cc3nc(-c4cccnc4)no3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is MDKVQCKYBMWQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16-5-3-7-19(17(16)2)24-20(29)14-27-9-11-28(12-10-27)15-21-25-22(26-30-21)18-6-4-8-23-13-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,29).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78832807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).