2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide

C26H36N10O4 — CID 143278879

About 2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide

2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide (PubChem CID 143278879) has the molecular formula C26H36N10O4 and a molecular weight of 552.64 g/mol. Its IUPAC name is 2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide.

Molecular Properties

• Compound Name: 2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide
• PubChem CID: 143278879
• Molecular Formula: C26H36N10O4
• Molecular Weight: 552.64 g/mol
• Exact Mass: 552.29
• IUPAC Name: 2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide
• SMILES: CCC1CN(c2nc(N)c(-c3nnc(C)o3)[nH]c2=O)CCN1C1CCN(Cc2ccc(O)cc2/C(N)=N\O)CC1
• InChI: InChI=1S/C26H36N10O4/c1-3-17-14-35(24-25(38)29-21(23(28)30-24)26-32-31-15(2)40-26)10-11-36(17)18-6-8-34(9-7-18)13-16-4-5-19(37)12-20(16)22(27)33-39/h4-5,12,17-18,37,39H,3,6-11,13-14H2,1-2H3,(H2,27,33)(H2,28,30)(H,29,38)
• InChIKey: RPDUQBAWZHDQKG-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 199.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.64
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide?

The IUPAC name of 2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide (CID 143278879) is 2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide.

What is the SMILES notation for 2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide?

The canonical SMILES for 2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide is CCC1CN(c2nc(N)c(-c3nnc(C)o3)[nH]c2=O)CCN1C1CCN(Cc2ccc(O)cc2/C(N)=N\O)CC1.

What is the InChIKey of 2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide?

The InChIKey is RPDUQBAWZHDQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N10O4/c1-3-17-14-35(24-25(38)29-21(23(28)30-24)26-32-31-15(2)40-26)10-11-36(17)18-6-8-34(9-7-18)13-16-4-5-19(37)12-20(16)22(27)33-39/h4-5,12,17-18,37,39H,3,6-11,13-14H2,1-2H3,(H2,27,33)(H2,28,30)(H,29,38).

What are the key properties of 2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide?

2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide has a molecular weight of 552.64 g/mol, XLogP of 1.08, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[4-[5-amino-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1H-pyrazin-3-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-N',5-dihydroxybenzenecarboximidamide is sourced from PubChem (CID 143278879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).