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

C20H13Cl4N3O3 — CID 26522722

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

3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 26522722) has the molecular formula C20H13Cl4N3O3 and a molecular weight of 485.15 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
• PubChem CID: 26522722
• Molecular Formula: C20H13Cl4N3O3
• Molecular Weight: 485.15 g/mol
• Exact Mass: 482.97
• IUPAC Name: 3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
• SMILES: COc1ccccc1NC(=O)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1
• InChI: InChI=1S/C20H13Cl4N3O3/c1-30-13-5-3-2-4-12(13)26-19(28)10-6-8-11(9-7-10)25-20(29)17-15(22)14(21)16(23)18(24)27-17/h2-9H,1H3,(H,25,29)(H,26,28)
• InChIKey: NZBSPYZUCFVYIW-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.15
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	2
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-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide (CID 26522722) is 3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide.

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

The canonical SMILES for 3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide is COc1ccccc1NC(=O)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1.

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

The InChIKey is NZBSPYZUCFVYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl4N3O3/c1-30-13-5-3-2-4-12(13)26-19(28)10-6-8-11(9-7-10)25-20(29)17-15(22)14(21)16(23)18(24)27-17/h2-9H,1H3,(H,25,29)(H,26,28).

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

3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 485.15 g/mol, XLogP of 6.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 26522722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).