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

C20H23N5O3 — CID 121079027

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

N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide (PubChem CID 121079027) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide
• PubChem CID: 121079027
• Molecular Formula: C20H23N5O3
• Molecular Weight: 381.44 g/mol
• Exact Mass: 381.18
• IUPAC Name: N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(C(=O)NCCn2nc(-c3cccnc3)n(C)c2=O)cc1
• InChI: InChI=1S/C20H23N5O3/c1-14(2)28-17-8-6-15(7-9-17)19(26)22-11-12-25-20(27)24(3)18(23-25)16-5-4-10-21-13-16/h4-10,13-14H,11-12H2,1-3H3,(H,22,26)
• InChIKey: CJNOGORUSQRYMF-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 91.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.44
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-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide?

The IUPAC name of N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide (CID 121079027) is N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide.

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

The canonical SMILES for N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCCn2nc(-c3cccnc3)n(C)c2=O)cc1.

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

The InChIKey is CJNOGORUSQRYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-14(2)28-17-8-6-15(7-9-17)19(26)22-11-12-25-20(27)24(3)18(23-25)16-5-4-10-21-13-16/h4-10,13-14H,11-12H2,1-3H3,(H,22,26).

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

N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 381.44 g/mol, XLogP of 1.86, 7 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-3-yl-1,2,4-triazol-1-yl)ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 121079027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).