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

C24H25N5O3 — CID 46268349

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

2-methyl-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide (PubChem CID 46268349) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
• PubChem CID: 46268349
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: 2-methyl-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
• SMILES: Cc1ccc(NC(=O)c2ccccc2C)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1
• InChI: InChI=1S/C24H25N5O3/c1-15(2)28-14-25-24-27-19(12-22(30)29(24)28)13-32-21-11-18(10-9-17(21)4)26-23(31)20-8-6-5-7-16(20)3/h5-12,14-15H,13H2,1-4H3,(H,26,31)
• InChIKey: NLOYQZQVCCHKOK-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide (CID 46268349) is 2-methyl-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide.

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

The canonical SMILES for 2-methyl-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2C)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1.

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

The InChIKey is NLOYQZQVCCHKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15(2)28-14-25-24-27-19(12-22(30)29(24)28)13-32-21-11-18(10-9-17(21)4)26-23(31)20-8-6-5-7-16(20)3/h5-12,14-15H,13H2,1-4H3,(H,26,31).

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

2-methyl-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide has a molecular weight of 431.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-methyl-3-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 46268349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).