N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide

C21H23N5O3 — CID 121116427

About N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide

N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide (PubChem CID 121116427) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide.

Molecular Properties

• Compound Name: N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide
• PubChem CID: 121116427
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide
• SMILES: CCOc1ccccc1C(=O)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O
• InChI: InChI=1S/C21H23N5O3/c1-2-29-18-8-4-3-7-17(18)20(27)23-12-13-25-21(28)26(16-9-10-16)19(24-25)15-6-5-11-22-14-15/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,23,27)
• InChIKey: WVPPWKOTYBPOGC-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 91.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide?

The IUPAC name of N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide (CID 121116427) is N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide.

What is the SMILES notation for N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide?

The canonical SMILES for N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O.

What is the InChIKey of N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide?

The InChIKey is WVPPWKOTYBPOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-2-29-18-8-4-3-7-17(18)20(27)23-12-13-25-21(28)26(16-9-10-16)19(24-25)15-6-5-11-22-14-15/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,23,27).

What are the key properties of N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide?

N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide has a molecular weight of 393.45 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide is sourced from PubChem (CID 121116427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).