1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide

C24H35IN6O2 — CID 111273830

About 1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide

1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide (PubChem CID 111273830) has the molecular formula C24H35IN6O2 and a molecular weight of 566.49 g/mol. Its IUPAC name is 1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide.

Molecular Properties

• Compound Name: 1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
• PubChem CID: 111273830
• Molecular Formula: C24H35IN6O2
• Molecular Weight: 566.49 g/mol
• Exact Mass: 566.19
• IUPAC Name: 1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
• SMILES: CCN/C(=N\Cc1cccnc1N1CCCC(C(N)=O)C1)N(C)CCOc1ccccc1.I
• InChI: InChI=1S/C24H34N6O2.HI/c1-3-26-24(29(2)15-16-32-21-11-5-4-6-12-21)28-17-19-9-7-13-27-23(19)30-14-8-10-20(18-30)22(25)31;/h4-7,9,11-13,20H,3,8,10,14-18H2,1-2H3,(H2,25,31)(H,26,28);1H
• InChIKey: CWENAGWMMUVZCA-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 96.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.49
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
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 1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide?

The IUPAC name of 1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide (CID 111273830) is 1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide.

What is the SMILES notation for 1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide?

The canonical SMILES for 1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide is CCN/C(=N\Cc1cccnc1N1CCCC(C(N)=O)C1)N(C)CCOc1ccccc1.I.

What is the InChIKey of 1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide?

The InChIKey is CWENAGWMMUVZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2.HI/c1-3-26-24(29(2)15-16-32-21-11-5-4-6-12-21)28-17-19-9-7-13-27-23(19)30-14-8-10-20(18-30)22(25)31;/h4-7,9,11-13,20H,3,8,10,14-18H2,1-2H3,(H2,25,31)(H,26,28);1H.

What are the key properties of 1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide?

1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide has a molecular weight of 566.49 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide is sourced from PubChem (CID 111273830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).