5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

C23H29N3O2 — CID 109227594

About 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109227594) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
• PubChem CID: 109227594
• Molecular Formula: C23H29N3O2
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.23
• IUPAC Name: 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
• SMILES: CC(C)Oc1ccccc1NC(=O)c1cncc(NCCC2=CCCCC2)c1
• InChI: InChI=1S/C23H29N3O2/c1-17(2)28-22-11-7-6-10-21(22)26-23(27)19-14-20(16-24-15-19)25-13-12-18-8-4-3-5-9-18/h6-8,10-11,14-17,25H,3-5,9,12-13H2,1-2H3,(H,26,27)
• InChIKey: WMSLURZQGGYRHR-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?

The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109227594) is 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?

The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cncc(NCCC2=CCCCC2)c1.

What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?

The InChIKey is WMSLURZQGGYRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(2)28-22-11-7-6-10-21(22)26-23(27)19-14-20(16-24-15-19)25-13-12-18-8-4-3-5-9-18/h6-8,10-11,14-17,25H,3-5,9,12-13H2,1-2H3,(H,26,27).

What are the key properties of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?

5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109227594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).