3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide

C20H24N6O3 — CID 110085702

About 3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide

3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 110085702) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 110085702
• Molecular Formula: C20H24N6O3
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.19
• IUPAC Name: 3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
• SMILES: Cc1ccc2[nH]nc(C(=O)N3CCCC(C)(C(=O)NCc4nonc4C)C3)c2c1
• InChI: InChI=1S/C20H24N6O3/c1-12-5-6-15-14(9-12)17(23-22-15)18(27)26-8-4-7-20(3,11-26)19(28)21-10-16-13(2)24-29-25-16/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,21,28)(H,22,23)
• InChIKey: SSDNMZCMDPHVDY-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 117.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of 3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide (CID 110085702) is 3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for 3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for 3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide is Cc1ccc2[nH]nc(C(=O)N3CCCC(C)(C(=O)NCc4nonc4C)C3)c2c1.

What is the InChIKey of 3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?

The InChIKey is SSDNMZCMDPHVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-12-5-6-15-14(9-12)17(23-22-15)18(27)26-8-4-7-20(3,11-26)19(28)21-10-16-13(2)24-29-25-16/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,21,28)(H,22,23).

What are the key properties of 3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?

3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110085702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).