6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

C18H26N6O2 — CID 56760533

About 6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 56760533) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 56760533
• Molecular Formula: C18H26N6O2
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.21
• IUPAC Name: 6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
• SMILES: CC(C)c1nc(CNC(=O)c2ccc(N3CCN(C)C(C)C3)nc2)no1
• InChI: InChI=1S/C18H26N6O2/c1-12(2)18-21-15(22-26-18)10-20-17(25)14-5-6-16(19-9-14)24-8-7-23(4)13(3)11-24/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H,20,25)
• InChIKey: FGNRULMOWMJZAO-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?

The IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (CID 56760533) is 6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is CC(C)c1nc(CNC(=O)c2ccc(N3CCN(C)C(C)C3)nc2)no1.

What is the InChIKey of 6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?

The InChIKey is FGNRULMOWMJZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12(2)18-21-15(22-26-18)10-20-17(25)14-5-6-16(19-9-14)24-8-7-23(4)13(3)11-24/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H,20,25).

What are the key properties of 6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?

6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56760533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).