2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

C19H28IN5O3 — CID 111662138

About 2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (PubChem CID 111662138) has the molecular formula C19H28IN5O3 and a molecular weight of 501.37 g/mol. Its IUPAC name is 2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.

Molecular Properties

• Compound Name: 2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
• PubChem CID: 111662138
• Molecular Formula: C19H28IN5O3
• Molecular Weight: 501.37 g/mol
• Exact Mass: 501.12
• IUPAC Name: 2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
• SMILES: CCN/C(=N\CC(=O)Nc1cccnc1)NCC(C)(O)c1cc(C)oc1C.I
• InChI: InChI=1S/C19H27N5O3.HI/c1-5-21-18(22-11-17(25)24-15-7-6-8-20-10-15)23-12-19(4,26)16-9-13(2)27-14(16)3;/h6-10,26H,5,11-12H2,1-4H3,(H,24,25)(H2,21,22,23);1H
• InChIKey: QTXQEDPFLYNIMO-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 111.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.37
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?

The IUPAC name of 2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (CID 111662138) is 2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.

What is the SMILES notation for 2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?

The canonical SMILES for 2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1cccnc1)NCC(C)(O)c1cc(C)oc1C.I.

What is the InChIKey of 2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?

The InChIKey is QTXQEDPFLYNIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3.HI/c1-5-21-18(22-11-17(25)24-15-7-6-8-20-10-15)23-12-19(4,26)16-9-13(2)27-14(16)3;/h6-10,26H,5,11-12H2,1-4H3,(H,24,25)(H2,21,22,23);1H.

What are the key properties of 2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?

2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide has a molecular weight of 501.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is sourced from PubChem (CID 111662138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).