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

C25H21N7O — CID 53045967

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

N-benzyl-4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzamide (PubChem CID 53045967) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is N-benzyl-4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzamide.

Molecular Properties

• Compound Name: N-benzyl-4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
• PubChem CID: 53045967
• Molecular Formula: C25H21N7O
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.18
• IUPAC Name: N-benzyl-4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzamide
• SMILES: Cc1cc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n2nc(-c3cccnc3)nc2n1
• InChI: InChI=1S/C25H21N7O/c1-17-14-22(32-25(28-17)30-23(31-32)20-8-5-13-26-16-20)29-21-11-9-19(10-12-21)24(33)27-15-18-6-3-2-4-7-18/h2-14,16,29H,15H2,1H3,(H,27,33)
• InChIKey: JKYSTFKUFQKHAW-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 97.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-benzyl-4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzamide (CID 53045967) is N-benzyl-4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzamide.

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

The canonical SMILES for N-benzyl-4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzamide is Cc1cc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n2nc(-c3cccnc3)nc2n1.

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

The InChIKey is JKYSTFKUFQKHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-17-14-22(32-25(28-17)30-23(31-32)20-8-5-13-26-16-20)29-21-11-9-19(10-12-21)24(33)27-15-18-6-3-2-4-7-18/h2-14,16,29H,15H2,1H3,(H,27,33).

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

N-benzyl-4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzamide has a molecular weight of 435.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzamide is sourced from PubChem (CID 53045967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).