N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C26H27N5O2 — CID 70912615

About N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 70912615) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
• PubChem CID: 70912615
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
• SMILES: O=C(NCC1CCCCC1)c1ccc(Nc2nc3cccc(-c4cccc(O)c4)n3n2)cc1
• InChI: InChI=1S/C26H27N5O2/c32-22-9-4-8-20(16-22)23-10-5-11-24-29-26(30-31(23)24)28-21-14-12-19(13-15-21)25(33)27-17-18-6-2-1-3-7-18/h4-5,8-16,18,32H,1-3,6-7,17H2,(H,27,33)(H,28,30)
• InChIKey: XMUIGRNNOSOZNT-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 91.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 70912615) is N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

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

The canonical SMILES for N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is O=C(NCC1CCCCC1)c1ccc(Nc2nc3cccc(-c4cccc(O)c4)n3n2)cc1.

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

The InChIKey is XMUIGRNNOSOZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c32-22-9-4-8-20(16-22)23-10-5-11-24-29-26(30-31(23)24)28-21-14-12-19(13-15-21)25(33)27-17-18-6-2-1-3-7-18/h4-5,8-16,18,32H,1-3,6-7,17H2,(H,27,33)(H,28,30).

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

N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 441.54 g/mol, XLogP of 5.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 70912615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).