N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide

C26H28N4O3 — CID 67323563

About N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide

N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide (PubChem CID 67323563) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide
• PubChem CID: 67323563
• Molecular Formula: C26H28N4O3
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.22
• IUPAC Name: N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide
• SMILES: COc1cccc(-c2nnc(C34CC5CC(CC(NC(=O)c6cccc(C)n6)(C5)C3)C4)o2)c1
• InChI: InChI=1S/C26H28N4O3/c1-16-5-3-8-21(27-16)22(31)28-26-13-17-9-18(14-26)12-25(11-17,15-26)24-30-29-23(33-24)19-6-4-7-20(10-19)32-2/h3-8,10,17-18H,9,11-15H2,1-2H3,(H,28,31)
• InChIKey: IATZNBVQJBJVTP-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide?

The IUPAC name of N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide (CID 67323563) is N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide is COc1cccc(-c2nnc(C34CC5CC(CC(NC(=O)c6cccc(C)n6)(C5)C3)C4)o2)c1.

What is the InChIKey of N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide?

The InChIKey is IATZNBVQJBJVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-16-5-3-8-21(27-16)22(31)28-26-13-17-9-18(14-26)12-25(11-17,15-26)24-30-29-23(33-24)19-6-4-7-20(10-19)32-2/h3-8,10,17-18H,9,11-15H2,1-2H3,(H,28,31).

What are the key properties of N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide?

N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 67323563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).