2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

C21H31IN6O2 — CID 111303700

About 2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (PubChem CID 111303700) has the molecular formula C21H31IN6O2 and a molecular weight of 526.42 g/mol. Its IUPAC name is 2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.

Molecular Properties

• Compound Name: 2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
• PubChem CID: 111303700
• Molecular Formula: C21H31IN6O2
• Molecular Weight: 526.42 g/mol
• Exact Mass: 526.16
• IUPAC Name: 2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
• SMILES: CCN/C(=N\CC(=O)Nc1cccnc1)NCC(c1ccco1)N1CCCCC1.I
• InChI: InChI=1S/C21H30N6O2.HI/c1-2-23-21(25-16-20(28)26-17-8-6-10-22-14-17)24-15-18(19-9-7-13-29-19)27-11-4-3-5-12-27;/h6-10,13-14,18H,2-5,11-12,15-16H2,1H3,(H,26,28)(H2,23,24,25);1H
• InChIKey: WUTPPQQXSKPYQT-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 94.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.42
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
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-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?

The IUPAC name of 2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (CID 111303700) is 2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.

What is the SMILES notation for 2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?

The canonical SMILES for 2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1cccnc1)NCC(c1ccco1)N1CCCCC1.I.

What is the InChIKey of 2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?

The InChIKey is WUTPPQQXSKPYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2.HI/c1-2-23-21(25-16-20(28)26-17-8-6-10-22-14-17)24-15-18(19-9-7-13-29-19)27-11-4-3-5-12-27;/h6-10,13-14,18H,2-5,11-12,15-16H2,1H3,(H,26,28)(H2,23,24,25);1H.

What are the key properties of 2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?

2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide has a molecular weight of 526.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is sourced from PubChem (CID 111303700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).