5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+)

C25H36N5O6RbRe — CID 168932534

About 5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+)

5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+) (PubChem CID 168932534) has the molecular formula C25H36N5O6RbRe and a molecular weight of 774.27 g/mol. Its IUPAC name is 5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+).

Molecular Properties

• Compound Name: 5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+)
• PubChem CID: 168932534
• Molecular Formula: C25H36N5O6RbRe
• Molecular Weight: 774.27 g/mol
• Exact Mass: 774.13
• IUPAC Name: 5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+)
• SMILES: CCNC(=O)C(=O)CCC(NC(C)=O)C(=O)Nc1cccn(CC(=O)NC[C@H]2C[CH-][C@@H](C)CC2)c1=O.[Rb+].[Re]
• InChI: InChI=1S/C25H36N5O6.Rb.Re/c1-4-26-24(35)21(32)12-11-19(28-17(3)31)23(34)29-20-6-5-13-30(25(20)36)15-22(33)27-14-18-9-7-16(2)8-10-18;;/h5-7,13,16,18-19H,4,8-12,14-15H2,1-3H3,(H,26,35)(H,27,33)(H,28,31)(H,29,34);;/q-1;+1;/t16-,18+,19?;;/m1../s1
• InChIKey: YYHWFMMWJWNBEP-REGLTWBGSA-N
• XLogP: -2.46
• TPSA: 155.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	774.27
LogP ≤ 5	-2.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+)?

The IUPAC name of 5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+) (CID 168932534) is 5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+).

What is the SMILES notation for 5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+)?

The canonical SMILES for 5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+) is CCNC(=O)C(=O)CCC(NC(C)=O)C(=O)Nc1cccn(CC(=O)NC[C@H]2C[CH-][C@@H](C)CC2)c1=O.[Rb+].[Re].

What is the InChIKey of 5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+)?

The InChIKey is YYHWFMMWJWNBEP-REGLTWBGSA-N. The full InChI is InChI=1S/C25H36N5O6.Rb.Re/c1-4-26-24(35)21(32)12-11-19(28-17(3)31)23(34)29-20-6-5-13-30(25(20)36)15-22(33)27-14-18-9-7-16(2)8-10-18;;/h5-7,13,16,18-19H,4,8-12,14-15H2,1-3H3,(H,26,35)(H,27,33)(H,28,31)(H,29,34);;/q-1;+1;/t16-,18+,19?;;/m1../s1.

What are the key properties of 5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+)?

5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+) has a molecular weight of 774.27 g/mol, XLogP of -2.46, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetamido-N-ethyl-N'-[1-[2-[[(1S,4R)-4-methylcyclohexyl]methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]-2-oxohexanediamide;rhenium;rubidium(1+) is sourced from PubChem (CID 168932534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).