4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide

C24H20N8O — CID 53045981

About 4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide

4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 53045981) has the molecular formula C24H20N8O and a molecular weight of 436.48 g/mol. Its IUPAC name is 4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 53045981
• Molecular Formula: C24H20N8O
• Molecular Weight: 436.48 g/mol
• Exact Mass: 436.18
• IUPAC Name: 4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
• SMILES: Cc1cc(Nc2ccc(C(=O)NCc3cccnc3)cc2)n2nc(-c3cccnc3)nc2n1
• InChI: InChI=1S/C24H20N8O/c1-16-12-21(32-24(28-16)30-22(31-32)19-5-3-11-26-15-19)29-20-8-6-18(7-9-20)23(33)27-14-17-4-2-10-25-13-17/h2-13,15,29H,14H2,1H3,(H,27,33)
• InChIKey: DWZUFBGHVHXFQN-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 109.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.48
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide?

The IUPAC name of 4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide (CID 53045981) is 4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide.

What is the SMILES notation for 4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide?

The canonical SMILES for 4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide is Cc1cc(Nc2ccc(C(=O)NCc3cccnc3)cc2)n2nc(-c3cccnc3)nc2n1.

What is the InChIKey of 4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide?

The InChIKey is DWZUFBGHVHXFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O/c1-16-12-21(32-24(28-16)30-22(31-32)19-5-3-11-26-15-19)29-20-8-6-18(7-9-20)23(33)27-14-17-4-2-10-25-13-17/h2-13,15,29H,14H2,1H3,(H,27,33).

What are the key properties of 4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide?

4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 436.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 53045981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).