2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine

C24H32N4O — CID 146420552

About 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine

2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine (PubChem CID 146420552) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine.

Molecular Properties

• Compound Name: 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine
• PubChem CID: 146420552
• Molecular Formula: C24H32N4O
• Molecular Weight: 392.55 g/mol
• Exact Mass: 392.26
• IUPAC Name: 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine
• SMILES: [H]/N=C(\C)c1cc(NC/C(=C/CCC)CC(=C)C)cc(-c2cccnc2OCC)n1
• InChI: InChI=1S/C24H32N4O/c1-6-8-10-19(13-17(3)4)16-27-20-14-22(18(5)25)28-23(15-20)21-11-9-12-26-24(21)29-7-2/h9-12,14-15,25H,3,6-8,13,16H2,1-2,4-5H3,(H,27,28)/b19-10+,25-18+
• InChIKey: ALHLQHJYMXLQRF-XUTUROQCSA-N
• XLogP: 6.03
• TPSA: 70.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.55
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine?

The IUPAC name of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine (CID 146420552) is 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine.

What is the SMILES notation for 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine?

The canonical SMILES for 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine is [H]/N=C(\C)c1cc(NC/C(=C/CCC)CC(=C)C)cc(-c2cccnc2OCC)n1.

What is the InChIKey of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine?

The InChIKey is ALHLQHJYMXLQRF-XUTUROQCSA-N. The full InChI is InChI=1S/C24H32N4O/c1-6-8-10-19(13-17(3)4)16-27-20-14-22(18(5)25)28-23(15-20)21-11-9-12-26-24(21)29-7-2/h9-12,14-15,25H,3,6-8,13,16H2,1-2,4-5H3,(H,27,28)/b19-10+,25-18+.

What are the key properties of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine?

2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine has a molecular weight of 392.55 g/mol, XLogP of 6.03, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine is sourced from PubChem (CID 146420552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).