pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide

C55H62IN10O2- — CID 159582160

About pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide

pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide (PubChem CID 159582160) has the molecular formula C55H62IN10O2- and a molecular weight of 1022.07 g/mol. Its IUPAC name is pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide.

Molecular Properties

• Compound Name: pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide
• PubChem CID: 159582160
• Molecular Formula: C55H62IN10O2-
• Molecular Weight: 1022.07 g/mol
• Exact Mass: 1021.41
• IUPAC Name: pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide
• SMILES: CC(=O)c1ccccn1.CC(CCCc1ccccn1)c1ccccn1.CC(c1ccccn1)N(CCc1ccccn1)Cc1ccccn1.NCCc1ccccn1.O=Cc1ccccn1.[I-]
• InChI: InChI=1S/C20H22N4.C15H18N2.C7H10N2.C7H7NO.C6H5NO.HI/c1-17(20-10-4-7-14-23-20)24(16-19-9-3-6-13-22-19)15-11-18-8-2-5-12-21-18;1-13(15-10-3-5-12-17-15)7-6-9-14-8-2-4-11-16-14;8-5-4-7-3-1-2-6-9-7;1-6(9)7-4-2-3-5-8-7;8-5-6-3-1-2-4-7-6;/h2-10,12-14,17H,11,15-16H2,1H3;2-5,8,10-13H,6-7,9H2,1H3;1-3,6H,4-5,8H2;2-5H,1H3;1-5H;1H/p-1
• InChIKey: WNPPGDCEPYITOR-UHFFFAOYSA-M
• XLogP: 7.05
• TPSA: 166.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1022.07
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide?

The IUPAC name of pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide (CID 159582160) is pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide.

What is the SMILES notation for pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide?

The canonical SMILES for pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide is CC(=O)c1ccccn1.CC(CCCc1ccccn1)c1ccccn1.CC(c1ccccn1)N(CCc1ccccn1)Cc1ccccn1.NCCc1ccccn1.O=Cc1ccccn1.[I-].

What is the InChIKey of pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide?

The InChIKey is WNPPGDCEPYITOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22N4.C15H18N2.C7H10N2.C7H7NO.C6H5NO.HI/c1-17(20-10-4-7-14-23-20)24(16-19-9-3-6-13-22-19)15-11-18-8-2-5-12-21-18;1-13(15-10-3-5-12-17-15)7-6-9-14-8-2-4-11-16-14;8-5-4-7-3-1-2-6-9-7;1-6(9)7-4-2-3-5-8-7;8-5-6-3-1-2-4-7-6;/h2-10,12-14,17H,11,15-16H2,1H3;2-5,8,10-13H,6-7,9H2,1H3;1-3,6H,4-5,8H2;2-5H,1H3;1-5H;1H/p-1.

What are the key properties of pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide?

pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide has a molecular weight of 1022.07 g/mol, XLogP of 7.05, 16 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for pyridine-2-carbaldehyde;2-pyridin-2-ylethanamine;1-pyridin-2-ylethanone;2-(5-pyridin-2-ylpentan-2-yl)pyridine;1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)ethanamine;iodide is sourced from PubChem (CID 159582160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).