N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide

C27H32N4O3 — CID 167597399

About N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 167597399) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
• PubChem CID: 167597399
• Molecular Formula: C27H32N4O3
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.25
• IUPAC Name: N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
• SMILES: Cc1cc(-c2ccnc(NC(=O)C3CC3(C)C)c2)ccc1CCC(=O)c1noc(C(C)(C)C)n1
• InChI: InChI=1S/C27H32N4O3/c1-16-13-18(19-11-12-28-22(14-19)29-24(33)20-15-27(20,5)6)8-7-17(16)9-10-21(32)23-30-25(34-31-23)26(2,3)4/h7-8,11-14,20H,9-10,15H2,1-6H3,(H,28,29,33)
• InChIKey: JGNHBOHVFVNLLV-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 97.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide?

The IUPAC name of N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 167597399) is N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide.

What is the SMILES notation for N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide?

The canonical SMILES for N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide is Cc1cc(-c2ccnc(NC(=O)C3CC3(C)C)c2)ccc1CCC(=O)c1noc(C(C)(C)C)n1.

What is the InChIKey of N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide?

The InChIKey is JGNHBOHVFVNLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-16-13-18(19-11-12-28-22(14-19)29-24(33)20-15-27(20,5)6)8-7-17(16)9-10-21(32)23-30-25(34-31-23)26(2,3)4/h7-8,11-14,20H,9-10,15H2,1-6H3,(H,28,29,33).

What are the key properties of N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide?

N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 167597399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).