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

C24H20N4O4 — CID 53100913

IUPACN-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)c1
InChIInChI=1S/C24H20N4O4/c1-15-7-3-4-10-19(15)22-26-23(32-27-22)20-11-6-12-28(24(20)31)14-21(30)25-18-9-5-8-17(13-18)16(2)29/h3-13H,14H2,1-2H3,(H,25,30)
InChIKeyMSYGJUNXGSUQNF-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.72
Rot. Bonds6

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

N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 53100913) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
PubChem CID53100913
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)c1
InChIInChI=1S/C24H20N4O4/c1-15-7-3-4-10-19(15)22-26-23(32-27-22)20-11-6-12-28(24(20)31)14-21(30)25-18-9-5-8-17(13-18)16(2)29/h3-13H,14H2,1-2H3,(H,25,30)
InChIKeyMSYGJUNXGSUQNF-UHFFFAOYSA-N
XLogP3.72
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53100921
N-(2,6-dimethylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373562
N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373576
2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30849101
2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51695550
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 30849405
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30849417
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53100893
2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30849607
N-(4-ethoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373583
N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 30849110
N-(3-bromophenyl)-2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]acetamide
CID 53178172

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide (CID 53100913) is N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide is CC(=O)c1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is MSYGJUNXGSUQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15-7-3-4-10-19(15)22-26-23(32-27-22)20-11-6-12-28(24(20)31)14-21(30)25-18-9-5-8-17(13-18)16(2)29/h3-13H,14H2,1-2H3,(H,25,30).
What are the key properties of N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 428.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53100913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).