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

C22H26N4O3 — CID 53091156

IUPAC2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCC(C)C)c(=O)c1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C22H26N4O3/c1-14(2)10-11-23-18(27)13-26-16(4)12-15(3)19(22(26)28)21-24-20(25-29-21)17-8-6-5-7-9-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,23,27)
InChIKeySMZVSRVIDHNBSG-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.34
Rot. Bonds7

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

2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide (PubChem CID 53091156) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide
PubChem CID53091156
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCC(C)C)c(=O)c1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C22H26N4O3/c1-14(2)10-11-23-18(27)13-26-16(4)12-15(3)19(22(26)28)21-24-20(25-29-21)17-8-6-5-7-9-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,23,27)
InChIKeySMZVSRVIDHNBSG-UHFFFAOYSA-N
XLogP3.34
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-chloro-2-methylphenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 27371305
2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide
CID 53091158
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
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-(3,4-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
N-(3-acetylphenyl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
CID 53091181
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 4-[[2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetyl]amino]benzoate
CID 53091233
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-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide (CID 53091156) is 2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide is Cc1cc(C)n(CC(=O)NCCC(C)C)c(=O)c1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide?
The InChIKey is SMZVSRVIDHNBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14(2)10-11-23-18(27)13-26-16(4)12-15(3)19(22(26)28)21-24-20(25-29-21)17-8-6-5-7-9-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,23,27).
What are the key properties of 2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide?
2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 53091156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).