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

C20H22N4O5 — CID 53137219

IUPACN-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc(-c3nc(C(C)C)no3)ccc2=O)c1
InChIInChI=1S/C20H22N4O5/c1-12(2)19-22-20(29-23-19)13-5-8-18(26)24(10-13)11-17(25)21-15-9-14(27-3)6-7-16(15)28-4/h5-10,12H,11H2,1-4H3,(H,21,25)
InChIKeyZSAYOEOLDPPJTB-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.68
Rot. Bonds7

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

N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide (PubChem CID 53137219) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
PubChem CID53137219
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cc(-c3nc(C(C)C)no3)ccc2=O)c1
InChIInChI=1S/C20H22N4O5/c1-12(2)19-22-20(29-23-19)13-5-8-18(26)24(10-13)11-17(25)21-15-9-14(27-3)6-7-16(15)28-4/h5-10,12H,11H2,1-4H3,(H,21,25)
InChIKeyZSAYOEOLDPPJTB-UHFFFAOYSA-N
XLogP2.68
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 53137247
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51366743
N-(5-chloro-2-methoxyphenyl)-2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetamide
CID 53137285
N-(2-methoxyphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393943
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 53365723
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 71794421
N-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853166
N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 51366790
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238087
N-(2,5-dimethoxyphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
CID 27603314
N-(2,4-dimethoxyphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745915

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide (CID 53137219) is N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide is COc1ccc(OC)c(NC(=O)Cn2cc(-c3nc(C(C)C)no3)ccc2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The InChIKey is ZSAYOEOLDPPJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-12(2)19-22-20(29-23-19)13-5-8-18(26)24(10-13)11-17(25)21-15-9-14(27-3)6-7-16(15)28-4/h5-10,12H,11H2,1-4H3,(H,21,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide has a molecular weight of 398.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide is sourced from PubChem (CID 53137219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).