N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide

C21H20N6O2 — CID 71793304

About N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide

N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 71793304) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

• Compound Name: N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
• PubChem CID: 71793304
• Molecular Formula: C21H20N6O2
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.16
• IUPAC Name: N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
• SMILES: Cn1c(-c2ccccn2)nn(CCNC(=O)c2ccc(-n3cccc3)cc2)c1=O
• InChI: InChI=1S/C21H20N6O2/c1-25-19(18-6-2-3-11-22-18)24-27(21(25)29)15-12-23-20(28)16-7-9-17(10-8-16)26-13-4-5-14-26/h2-11,13-14H,12,15H2,1H3,(H,23,28)
• InChIKey: PALZBJXULDYGIZ-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 86.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide (CID 71793304) is N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide.

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

The canonical SMILES for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide is Cn1c(-c2ccccn2)nn(CCNC(=O)c2ccc(-n3cccc3)cc2)c1=O.

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

The InChIKey is PALZBJXULDYGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-25-19(18-6-2-3-11-22-18)24-27(21(25)29)15-12-23-20(28)16-7-9-17(10-8-16)26-13-4-5-14-26/h2-11,13-14H,12,15H2,1H3,(H,23,28).

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

N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 388.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 71793304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).