3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide

C18H19Cl4N3O2 — CID 55529164

About 3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide

3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide (PubChem CID 55529164) has the molecular formula C18H19Cl4N3O2 and a molecular weight of 451.18 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide
• PubChem CID: 55529164
• Molecular Formula: C18H19Cl4N3O2
• Molecular Weight: 451.18 g/mol
• Exact Mass: 449.02
• IUPAC Name: 3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide
• SMILES: CCN(CC)CCOc1ccccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
• InChI: InChI=1S/C18H19Cl4N3O2/c1-3-25(4-2)9-10-27-12-8-6-5-7-11(12)23-18(26)16-14(20)13(19)15(21)17(22)24-16/h5-8H,3-4,9-10H2,1-2H3,(H,23,26)
• InChIKey: XGBUZLQQUZPRJQ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.18
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide?

The IUPAC name of 3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide (CID 55529164) is 3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide is CCN(CC)CCOc1ccccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl.

What is the InChIKey of 3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide?

The InChIKey is XGBUZLQQUZPRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl4N3O2/c1-3-25(4-2)9-10-27-12-8-6-5-7-11(12)23-18(26)16-14(20)13(19)15(21)17(22)24-16/h5-8H,3-4,9-10H2,1-2H3,(H,23,26).

What are the key properties of 3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide?

3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 451.18 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 55529164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).