N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide

C22H26N4O4 — CID 53132565

IUPACN-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCCCCN(CC)C(=O)Cn1cc(-c2nc(-c3ccc(OC)cc3)no2)ccc1=O
InChIInChI=1S/C22H26N4O4/c1-4-6-13-25(5-2)20(28)15-26-14-17(9-12-19(26)27)22-23-21(24-30-22)16-7-10-18(29-3)11-8-16/h7-12,14H,4-6,13,15H2,1-3H3
InChIKeyCPILJKMIAKBQBX-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.22
Rot. Bonds9

About N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide

N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 53132565) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
PubChem CID53132565
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCCCCN(CC)C(=O)Cn1cc(-c2nc(-c3ccc(OC)cc3)no2)ccc1=O
InChIInChI=1S/C22H26N4O4/c1-4-6-13-25(5-2)20(28)15-26-14-17(9-12-19(26)27)22-23-21(24-30-22)16-7-10-18(29-3)11-8-16/h7-12,14H,4-6,13,15H2,1-3H3
InChIKeyCPILJKMIAKBQBX-UHFFFAOYSA-N
XLogP3.22
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 53365723
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 51366711
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 50838002
2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 53132567
N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 71794055
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
N-(2-methoxyphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393943
N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 51366790
N-[2-(diethylamino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55518191
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide
CID 51366651
ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate
CID 50837998
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51366743

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide (CID 53132565) is N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide is CCCCN(CC)C(=O)Cn1cc(-c2nc(-c3ccc(OC)cc3)no2)ccc1=O.
What is the InChIKey of N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is CPILJKMIAKBQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-4-6-13-25(5-2)20(28)15-26-14-17(9-12-19(26)27)22-23-21(24-30-22)16-7-10-18(29-3)11-8-16/h7-12,14H,4-6,13,15H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53132565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).