2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C20H24N6O3 — CID 156635533

About 2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 156635533) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• PubChem CID: 156635533
• Molecular Formula: C20H24N6O3
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.19
• IUPAC Name: 2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• SMILES: COCCOc1ccc(N)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1
• InChI: InChI=1S/C20H24N6O3/c1-13(2)26-12-22-25-19(26)17-5-4-6-18(23-17)24-20(27)15-11-14(7-8-16(15)21)29-10-9-28-3/h4-8,11-13H,9-10,21H2,1-3H3,(H,23,24,27)
• InChIKey: VQHPAAPUYXVIMQ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 117.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

The IUPAC name of 2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 156635533) is 2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

What is the SMILES notation for 2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

The canonical SMILES for 2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is COCCOc1ccc(N)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1.

What is the InChIKey of 2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

The InChIKey is VQHPAAPUYXVIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-13(2)26-12-22-25-19(26)17-5-4-6-18(23-17)24-20(27)15-11-14(7-8-16(15)21)29-10-9-28-3/h4-8,11-13H,9-10,21H2,1-3H3,(H,23,24,27).

What are the key properties of 2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 396.45 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 156635533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).