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

C25H23FN4O4 — CID 27371323

IUPACN-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(F)cc3)no2)c1=O
InChIInChI=1S/C25H23FN4O4/c1-4-33-20-8-6-5-7-19(20)27-21(31)14-30-16(3)13-15(2)22(25(30)32)24-28-23(29-34-24)17-9-11-18(26)12-10-17/h5-13H,4,14H2,1-3H3,(H,27,31)
InChIKeyIRUZTNNAAQAVSB-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.36
Rot. Bonds7

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

N-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 27371323) has the molecular formula C25H23FN4O4 and a molecular weight of 462.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
PubChem CID27371323
Molecular FormulaC25H23FN4O4
Molecular Weight462.48 g/mol
Exact Mass462.17
IUPAC NameN-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(F)cc3)no2)c1=O
InChIInChI=1S/C25H23FN4O4/c1-4-33-20-8-6-5-7-19(20)27-21(31)14-30-16(3)13-15(2)22(25(30)32)24-28-23(29-34-24)17-9-11-18(26)12-10-17/h5-13H,4,14H2,1-3H3,(H,27,31)
InChIKeyIRUZTNNAAQAVSB-UHFFFAOYSA-N
XLogP4.36
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide (CID 27371323) is N-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide is CCOc1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(F)cc3)no2)c1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is IRUZTNNAAQAVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4/c1-4-33-20-8-6-5-7-19(20)27-21(31)14-30-16(3)13-15(2)22(25(30)32)24-28-23(29-34-24)17-9-11-18(26)12-10-17/h5-13H,4,14H2,1-3H3,(H,27,31).
What are the key properties of N-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide?
N-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 462.48 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 27371323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).