2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide

C25H24N4O3 — CID 53091158

IUPAC2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccccc4C)c3=O)n2)cc1
InChIInChI=1S/C25H24N4O3/c1-15-9-11-19(12-10-15)23-27-24(32-28-23)22-17(3)13-18(4)29(25(22)31)14-21(30)26-20-8-6-5-7-16(20)2/h5-13H,14H2,1-4H3,(H,26,30)
InChIKeyJMLFXCZFJUUYEJ-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.44
Rot. Bonds5

About 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide

2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide (PubChem CID 53091158) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide
PubChem CID53091158
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccccc4C)c3=O)n2)cc1
InChIInChI=1S/C25H24N4O3/c1-15-9-11-19(12-10-15)23-27-24(32-28-23)22-17(3)13-18(4)29(25(22)31)14-21(30)26-20-8-6-5-7-16(20)2/h5-13H,14H2,1-4H3,(H,26,30)
InChIKeyJMLFXCZFJUUYEJ-UHFFFAOYSA-N
XLogP4.44
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-ethylphenyl)acetamide
CID 45283593
N-(3-chloro-2-methylphenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 27371305
N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53091170
N-(4-chloro-2-fluorophenyl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
CID 52910812
2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide
CID 46355368
N-(3,5-dimethoxyphenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 27371299
N-(3-acetylphenyl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
CID 53091181
methyl 3-[[2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate
CID 27371335
2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 53091156
2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,4-difluorophenyl)acetamide
CID 53091235
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 53091216
ethyl 3-[[2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetyl]amino]benzoate
CID 53091220

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide (CID 53091158) is 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide is Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccccc4C)c3=O)n2)cc1.
What is the InChIKey of 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide?
The InChIKey is JMLFXCZFJUUYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15-9-11-19(12-10-15)23-27-24(32-28-23)22-17(3)13-18(4)29(25(22)31)14-21(30)26-20-8-6-5-7-16(20)2/h5-13H,14H2,1-4H3,(H,26,30).
What are the key properties of 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide?
2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide has a molecular weight of 428.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 53091158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).