2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide

C26H26N6O4 — CID 3212175

About 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide

2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide (PubChem CID 3212175) has the molecular formula C26H26N6O4 and a molecular weight of 486.53 g/mol. Its IUPAC name is 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide
• PubChem CID: 3212175
• Molecular Formula: C26H26N6O4
• Molecular Weight: 486.53 g/mol
• Exact Mass: 486.20
• IUPAC Name: 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide
• SMILES: COCCNC(=O)C(c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(C)=O)c1
• InChI: InChI=1S/C26H26N6O4/c1-18(33)20-6-5-7-21(16-20)32(24(34)17-31-23-9-4-3-8-22(23)29-30-31)25(19-10-12-27-13-11-19)26(35)28-14-15-36-2/h3-13,16,25H,14-15,17H2,1-2H3,(H,28,35)
• InChIKey: FQBFMVBIYCLAQZ-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 119.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.53
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide?

The IUPAC name of 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide (CID 3212175) is 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide.

What is the SMILES notation for 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide?

The canonical SMILES for 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide is COCCNC(=O)C(c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(C)=O)c1.

What is the InChIKey of 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide?

The InChIKey is FQBFMVBIYCLAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4/c1-18(33)20-6-5-7-21(16-20)32(24(34)17-31-23-9-4-3-8-22(23)29-30-31)25(19-10-12-27-13-11-19)26(35)28-14-15-36-2/h3-13,16,25H,14-15,17H2,1-2H3,(H,28,35).

What are the key properties of 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide?

2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide has a molecular weight of 486.53 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3212175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).