6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide

C17H21N7O2 — CID 75397025

About 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide

6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide (PubChem CID 75397025) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide.

Molecular Properties

• Compound Name: 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide
• PubChem CID: 75397025
• Molecular Formula: C17H21N7O2
• Molecular Weight: 355.40 g/mol
• Exact Mass: 355.18
• IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide
• SMILES: Cc1cc(C)n(-c2ccc(/C(N)=N/OCCCc3nnc(C)o3)cn2)n1
• InChI: InChI=1S/C17H21N7O2/c1-11-9-12(2)24(22-11)15-7-6-14(10-19-15)17(18)23-25-8-4-5-16-21-20-13(3)26-16/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,23)
• InChIKey: FHPBENJDUFWSBV-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 117.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.40
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide?

The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide (CID 75397025) is 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide.

What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide?

The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide is Cc1cc(C)n(-c2ccc(/C(N)=N/OCCCc3nnc(C)o3)cn2)n1.

What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide?

The InChIKey is FHPBENJDUFWSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-11-9-12(2)24(22-11)15-7-6-14(10-19-15)17(18)23-25-8-4-5-16-21-20-13(3)26-16/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,23).

What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide?

6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide has a molecular weight of 355.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 75397025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).