3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide

C26H24N6O4 — CID 178109310

About 3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide

3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide (PubChem CID 178109310) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide.

Molecular Properties

• Compound Name: 3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
• PubChem CID: 178109310
• Molecular Formula: C26H24N6O4
• Molecular Weight: 484.52 g/mol
• Exact Mass: 484.19
• IUPAC Name: 3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
• SMILES: CCc1c(-c2ccc(-n3c(C)noc3=O)cc2)ccnc1N1CCN(c2cccc(C(N)=O)c2)C1=O
• InChI: InChI=1S/C26H24N6O4/c1-3-21-22(17-7-9-19(10-8-17)32-16(2)29-36-26(32)35)11-12-28-24(21)31-14-13-30(25(31)34)20-6-4-5-18(15-20)23(27)33/h4-12,15H,3,13-14H2,1-2H3,(H2,27,33)
• InChIKey: JNYDTPQCGYCSKN-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 127.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.52
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide?

The IUPAC name of 3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide (CID 178109310) is 3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide.

What is the SMILES notation for 3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide?

The canonical SMILES for 3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide is CCc1c(-c2ccc(-n3c(C)noc3=O)cc2)ccnc1N1CCN(c2cccc(C(N)=O)c2)C1=O.

What is the InChIKey of 3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide?

The InChIKey is JNYDTPQCGYCSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-3-21-22(17-7-9-19(10-8-17)32-16(2)29-36-26(32)35)11-12-28-24(21)31-14-13-30(25(31)34)20-6-4-5-18(15-20)23(27)33/h4-12,15H,3,13-14H2,1-2H3,(H2,27,33).

What are the key properties of 3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide?

3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide has a molecular weight of 484.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide is sourced from PubChem (CID 178109310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).