3-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide

C27H30N6O — CID 142761823

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

3-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 142761823) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 3-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
• PubChem CID: 142761823
• Molecular Formula: C27H30N6O
• Molecular Weight: 454.58 g/mol
• Exact Mass: 454.25
• IUPAC Name: 3-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
• SMILES: Cc1ccc(-c2cccc3nc(Nc4cccc(C(=O)NCC5CCN(C)CC5)c4)nn23)cc1
• InChI: InChI=1S/C27H30N6O/c1-19-9-11-21(12-10-19)24-7-4-8-25-30-27(31-33(24)25)29-23-6-3-5-22(17-23)26(34)28-18-20-13-15-32(2)16-14-20/h3-12,17,20H,13-16,18H2,1-2H3,(H,28,34)(H,29,31)
• InChIKey: YDYGWHIQGWHGNL-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 74.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.58
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 142761823) is 3-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

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

The canonical SMILES for 3-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide is Cc1ccc(-c2cccc3nc(Nc4cccc(C(=O)NCC5CCN(C)CC5)c4)nn23)cc1.

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

The InChIKey is YDYGWHIQGWHGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-19-9-11-21(12-10-19)24-7-4-8-25-30-27(31-33(24)25)29-23-6-3-5-22(17-23)26(34)28-18-20-13-15-32(2)16-14-20/h3-12,17,20H,13-16,18H2,1-2H3,(H,28,34)(H,29,31).

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

3-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 454.58 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 142761823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).