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

C24H22N4O5 — CID 51366790

IUPACN-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCOc1cc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)cc(OC)c1
InChIInChI=1S/C24H22N4O5/c1-15-5-4-6-16(9-15)23-26-24(33-27-23)17-7-8-22(30)28(13-17)14-21(29)25-18-10-19(31-2)12-20(11-18)32-3/h4-13H,14H2,1-3H3,(H,25,29)
InChIKeyWLQALQQHXKWZNR-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.53
Rot. Bonds7

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

N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 51366790) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
PubChem CID51366790
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCOc1cc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)cc(OC)c1
InChIInChI=1S/C24H22N4O5/c1-15-5-4-6-16(9-15)23-26-24(33-27-23)17-7-8-22(30)28(13-17)14-21(29)25-18-10-19(31-2)12-20(11-18)32-3/h4-13H,14H2,1-3H3,(H,25,29)
InChIKeyWLQALQQHXKWZNR-UHFFFAOYSA-N
XLogP3.53
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide (CID 51366790) is N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide is COc1cc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is WLQALQQHXKWZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-15-5-4-6-16(9-15)23-26-24(33-27-23)17-7-8-22(30)28(13-17)14-21(29)25-18-10-19(31-2)12-20(11-18)32-3/h4-13H,14H2,1-3H3,(H,25,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 446.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 51366790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).