1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide

C22H20N6O2 — CID 53178850

About 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide

1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide (PubChem CID 53178850) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide
• PubChem CID: 53178850
• Molecular Formula: C22H20N6O2
• Molecular Weight: 400.44 g/mol
• Exact Mass: 400.16
• IUPAC Name: 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide
• SMILES: Cc1ccccc1CNC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1
• InChI: InChI=1S/C22H20N6O2/c1-14-4-2-3-5-16(14)10-24-21(29)18-12-28(13-25-18)19-9-8-17(11-23-19)22-26-20(27-30-22)15-6-7-15/h2-5,8-9,11-13,15H,6-7,10H2,1H3,(H,24,29)
• InChIKey: YUPPIXNXVVENLS-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.44
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide?

The IUPAC name of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide (CID 53178850) is 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide.

What is the SMILES notation for 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide?

The canonical SMILES for 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide is Cc1ccccc1CNC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1.

What is the InChIKey of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide?

The InChIKey is YUPPIXNXVVENLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-14-4-2-3-5-16(14)10-24-21(29)18-12-28(13-25-18)19-9-8-17(11-23-19)22-26-20(27-30-22)15-6-7-15/h2-5,8-9,11-13,15H,6-7,10H2,1H3,(H,24,29).

What are the key properties of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide?

1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 53178850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).