3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide

C18H11Cl5N4O2 — CID 16557654

About 3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide

3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide (PubChem CID 16557654) has the molecular formula C18H11Cl5N4O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide
• PubChem CID: 16557654
• Molecular Formula: C18H11Cl5N4O2
• Molecular Weight: 492.58 g/mol
• Exact Mass: 489.93
• IUPAC Name: 3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide
• SMILES: O=C(c1nc(Cl)c(Cl)c(Cl)c1Cl)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
• InChI: InChI=1S/C18H11Cl5N4O2/c19-10-4-2-1-3-9(10)17-26-25-11(29-17)7-27(8-5-6-8)18(28)15-13(21)12(20)14(22)16(23)24-15/h1-4,8H,5-7H2
• InChIKey: NUCDIFAIICFFOA-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide?

The IUPAC name of 3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide (CID 16557654) is 3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide.

What is the SMILES notation for 3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide?

The canonical SMILES for 3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide is O=C(c1nc(Cl)c(Cl)c(Cl)c1Cl)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1.

What is the InChIKey of 3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide?

The InChIKey is NUCDIFAIICFFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl5N4O2/c19-10-4-2-1-3-9(10)17-26-25-11(29-17)7-27(8-5-6-8)18(28)15-13(21)12(20)14(22)16(23)24-15/h1-4,8H,5-7H2.

What are the key properties of 3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide?

3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 16557654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).