N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide

C23H23N5O4 — CID 50748964

About N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide

N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide (PubChem CID 50748964) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
• PubChem CID: 50748964
• Molecular Formula: C23H23N5O4
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.18
• IUPAC Name: N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
• SMILES: CCOc1ccc(N(Cc2nc3nc(C)cc(=O)n3[nH]2)C(=O)c2cccc(OC)c2)cc1
• InChI: InChI=1S/C23H23N5O4/c1-4-32-18-10-8-17(9-11-18)27(22(30)16-6-5-7-19(13-16)31-3)14-20-25-23-24-15(2)12-21(29)28(23)26-20/h5-13H,4,14H2,1-3H3,(H,24,25,26)
• InChIKey: XQSOGQIXNZBHPH-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 101.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide?

The IUPAC name of N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide (CID 50748964) is N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide.

What is the SMILES notation for N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide?

The canonical SMILES for N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide is CCOc1ccc(N(Cc2nc3nc(C)cc(=O)n3[nH]2)C(=O)c2cccc(OC)c2)cc1.

What is the InChIKey of N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide?

The InChIKey is XQSOGQIXNZBHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-4-32-18-10-8-17(9-11-18)27(22(30)16-6-5-7-19(13-16)31-3)14-20-25-23-24-15(2)12-21(29)28(23)26-20/h5-13H,4,14H2,1-3H3,(H,24,25,26).

What are the key properties of N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide?

N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide has a molecular weight of 433.47 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 50748964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).