N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide

C25H21N5O2 — CID 60609850

About N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide

N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 60609850) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 60609850
• Molecular Formula: C25H21N5O2
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.17
• IUPAC Name: N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
• SMILES: Cc1ccc(-c2nnc(-c3ccc(C(=O)N(CCC#N)Cc4cccnc4)cc3)o2)cc1
• InChI: InChI=1S/C25H21N5O2/c1-18-5-7-20(8-6-18)23-28-29-24(32-23)21-9-11-22(12-10-21)25(31)30(15-3-13-26)17-19-4-2-14-27-16-19/h2,4-12,14,16H,3,15,17H2,1H3
• InChIKey: RJADESNPYJKJCA-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 95.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide?

The IUPAC name of N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 60609850) is N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide.

What is the SMILES notation for N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide?

The canonical SMILES for N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(-c2nnc(-c3ccc(C(=O)N(CCC#N)Cc4cccnc4)cc3)o2)cc1.

What is the InChIKey of N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide?

The InChIKey is RJADESNPYJKJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-18-5-7-20(8-6-18)23-28-29-24(32-23)21-9-11-22(12-10-21)25(31)30(15-3-13-26)17-19-4-2-14-27-16-19/h2,4-12,14,16H,3,15,17H2,1H3.

What are the key properties of N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide?

N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 423.48 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 60609850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).