2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide

C26H28N6O3 — CID 23762238

About 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide (PubChem CID 23762238) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide
• PubChem CID: 23762238
• Molecular Formula: C26H28N6O3
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.22
• IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide
• SMILES: O=C(NC1CCCCC1)C(c1ccco1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21
• InChI: InChI=1S/C26H28N6O3/c33-24(18-32-22-12-5-4-11-21(22)29-30-32)31(17-19-8-6-14-27-16-19)25(23-13-7-15-35-23)26(34)28-20-9-2-1-3-10-20/h4-8,11-16,20,25H,1-3,9-10,17-18H2,(H,28,34)
• InChIKey: NUWWLWPUFCTVMN-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide?

The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide (CID 23762238) is 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide.

What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide?

The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide is O=C(NC1CCCCC1)C(c1ccco1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21.

What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide?

The InChIKey is NUWWLWPUFCTVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c33-24(18-32-22-12-5-4-11-21(22)29-30-32)31(17-19-8-6-14-27-16-19)25(23-13-7-15-35-23)26(34)28-20-9-2-1-3-10-20/h4-8,11-16,20,25H,1-3,9-10,17-18H2,(H,28,34).

What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide?

2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide has a molecular weight of 472.55 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(furan-2-yl)acetamide is sourced from PubChem (CID 23762238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).