methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate

C68H94N8O10 — CID 137101055

About methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate

methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate (PubChem CID 137101055) has the molecular formula C68H94N8O10 and a molecular weight of 1183.55 g/mol. Its IUPAC name is methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate
• PubChem CID: 137101055
• Molecular Formula: C68H94N8O10
• Molecular Weight: 1183.55 g/mol
• Exact Mass: 1182.71
• IUPAC Name: methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate
• SMILES: CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cccc(/N=N/c2c(C)c(C(=O)OC)c(=O)n(-c3cccc(-n4c(O)c(/N=N/c5cccc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c5)c(C)c(C(=O)OC)c4=O)c3)c2O)c1
• InChI: InChI=1S/C68H94N8O10/c1-13-21-28-47(17-5)41-73(42-48(18-6)29-22-14-2)61(77)51-32-25-34-53(38-51)69-71-59-45(9)57(67(83)85-11)63(79)75(65(59)81)55-36-27-37-56(40-55)76-64(80)58(68(84)86-12)46(10)60(66(76)82)72-70-54-35-26-33-52(39-54)62(78)74(43-49(19-7)30-23-15-3)44-50(20-8)31-24-16-4/h25-27,32-40,47-50,81-82H,13-24,28-31,41-44H2,1-12H3/b71-69+,72-70+
• InChIKey: NRFMABDVJXSGNU-WGMFIIQRSA-N
• XLogP: 16.17
• TPSA: 227.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 34
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1183.55
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

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 methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate?

The IUPAC name of methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate (CID 137101055) is methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate.

What is the SMILES notation for methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate?

The canonical SMILES for methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate is CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cccc(/N=N/c2c(C)c(C(=O)OC)c(=O)n(-c3cccc(-n4c(O)c(/N=N/c5cccc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c5)c(C)c(C(=O)OC)c4=O)c3)c2O)c1.

What is the InChIKey of methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate?

The InChIKey is NRFMABDVJXSGNU-WGMFIIQRSA-N. The full InChI is InChI=1S/C68H94N8O10/c1-13-21-28-47(17-5)41-73(42-48(18-6)29-22-14-2)61(77)51-32-25-34-53(38-51)69-71-59-45(9)57(67(83)85-11)63(79)75(65(59)81)55-36-27-37-56(40-55)76-64(80)58(68(84)86-12)46(10)60(66(76)82)72-70-54-35-26-33-52(39-54)62(78)74(43-49(19-7)30-23-15-3)44-50(20-8)31-24-16-4/h25-27,32-40,47-50,81-82H,13-24,28-31,41-44H2,1-12H3/b71-69+,72-70+.

What are the key properties of methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate?

methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate has a molecular weight of 1183.55 g/mol, XLogP of 16.17, 34 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-1-[3-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-methoxycarbonyl-4-methyl-6-oxo-1-pyridinyl]phenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 137101055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).