5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide

C53H86N6O4 — CID 136992944

About 5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide

5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide (PubChem CID 136992944) has the molecular formula C53H86N6O4 and a molecular weight of 871.31 g/mol. Its IUPAC name is 5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide
• PubChem CID: 136992944
• Molecular Formula: C53H86N6O4
• Molecular Weight: 871.31 g/mol
• Exact Mass: 870.67
• IUPAC Name: 5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide
• SMILES: CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cc(/N=N/c2c(C)c(C#N)c(O)n(C3CCCCC3)c2=O)cc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c1
• InChI: InChI=1S/C53H86N6O4/c1-10-18-25-40(14-5)35-57(36-41(15-6)26-19-11-2)50(60)44-31-45(51(61)58(37-42(16-7)27-20-12-3)38-43(17-8)28-21-13-4)33-46(32-44)55-56-49-39(9)48(34-54)52(62)59(53(49)63)47-29-23-22-24-30-47/h31-33,40-43,47,62H,10-30,35-38H2,1-9H3/b56-55+
• InChIKey: AJRPOPDCWFLHLV-WCNVQLFYSA-N
• XLogP: 14.40
• TPSA: 131.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 29
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.31
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide?

The IUPAC name of 5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide (CID 136992944) is 5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide.

What is the SMILES notation for 5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide?

The canonical SMILES for 5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cc(/N=N/c2c(C)c(C#N)c(O)n(C3CCCCC3)c2=O)cc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c1.

What is the InChIKey of 5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide?

The InChIKey is AJRPOPDCWFLHLV-WCNVQLFYSA-N. The full InChI is InChI=1S/C53H86N6O4/c1-10-18-25-40(14-5)35-57(36-41(15-6)26-19-11-2)50(60)44-31-45(51(61)58(37-42(16-7)27-20-12-3)38-43(17-8)28-21-13-4)33-46(32-44)55-56-49-39(9)48(34-54)52(62)59(53(49)63)47-29-23-22-24-30-47/h31-33,40-43,47,62H,10-30,35-38H2,1-9H3/b56-55+.

What are the key properties of 5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide?

5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide has a molecular weight of 871.31 g/mol, XLogP of 14.40, 29 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 136992944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).