N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide

C50H56N10O6 — CID 137043679

IUPACN,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide
SMILESCCCCN(CCCC)C(=O)c1cccc(/N=N/c2c(C)c(C#N)c(=O)n(-c3ccc(-n4c(O)c(/N=N/c5cccc(C(=O)N(CCCC)CCCC)c5)c(C)c(C#N)c4=O)cc3)c2O)c1
InChIInChI=1S/C50H56N10O6/c1-7-11-25-57(26-12-8-2)45(61)35-17-15-19-37(29-35)53-55-43-33(5)41(31-51)47(63)59(49(43)65)39-21-23-40(24-22-39)60-48(64)42(32-52)34(6)44(50(60)66)56-54-38-20-16-18-36(30-38)46(62)58(27-13-9-3)28-14-10-4/h15-24,29-30,65-66H,7-14,25-28H2,1-6H3/b55-53+,56-54+
InChIKeyYPMMAONXTFNSDR-DSZBTAPASA-N
MW893.06 g/mol
LogP10.68
Rot. Bonds20

About N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide

N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide (PubChem CID 137043679) has the molecular formula C50H56N10O6 and a molecular weight of 893.06 g/mol. Its IUPAC name is N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide.

Molecular Properties

Compound NameN,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide
PubChem CID137043679
Molecular FormulaC50H56N10O6
Molecular Weight893.06 g/mol
Exact Mass892.44
IUPAC NameN,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide
SMILESCCCCN(CCCC)C(=O)c1cccc(/N=N/c2c(C)c(C#N)c(=O)n(-c3ccc(-n4c(O)c(/N=N/c5cccc(C(=O)N(CCCC)CCCC)c5)c(C)c(C#N)c4=O)cc3)c2O)c1
InChIInChI=1S/C50H56N10O6/c1-7-11-25-57(26-12-8-2)45(61)35-17-15-19-37(29-35)53-55-43-33(5)41(31-51)47(63)59(49(43)65)39-21-23-40(24-22-39)60-48(64)42(32-52)34(6)44(50(60)66)56-54-38-20-16-18-36(30-38)46(62)58(27-13-9-3)28-14-10-4/h15-24,29-30,65-66H,7-14,25-28H2,1-6H3/b55-53+,56-54+
InChIKeyYPMMAONXTFNSDR-DSZBTAPASA-N
XLogP10.68
TPSA222.10 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500893.06
LogP ≤ 510.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

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
3-[[1-[4-[3-[[3-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-5-isocyano-6-oxo-4-phenyl-1-pyridinyl]phenyl]-5-cyano-6-oxo-4-phenyl-3-pyridinyl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide
CID 160932644
1-hexyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835581
3-[[5-cyano-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]benzoic acid
CID 944396
5-[(3-acetylphenyl)diazenyl]-2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 944666
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
5-[(3-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
CID 135835967
4-[[5-cyano-1-[4-[3-[[4-(2-ethylhexylsulfamoyl)phenyl]diazenyl]-2-hydroxy-5-isocyano-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]-N-(2-ethylhexyl)benzenesulfonamide
CID 140847120
3-[[5-cyano-2-hydroxy-1-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide
CID 135140560
3-methyl-N,N-di(undecyl)benzamide
CID 533252
1-butyl-5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835557
5-[(3-chlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 135835050

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide?
The IUPAC name of N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide (CID 137043679) is N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide.
What is the SMILES notation for N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide?
The canonical SMILES for N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide is CCCCN(CCCC)C(=O)c1cccc(/N=N/c2c(C)c(C#N)c(=O)n(-c3ccc(-n4c(O)c(/N=N/c5cccc(C(=O)N(CCCC)CCCC)c5)c(C)c(C#N)c4=O)cc3)c2O)c1.
What is the InChIKey of N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide?
The InChIKey is YPMMAONXTFNSDR-DSZBTAPASA-N. The full InChI is InChI=1S/C50H56N10O6/c1-7-11-25-57(26-12-8-2)45(61)35-17-15-19-37(29-35)53-55-43-33(5)41(31-51)47(63)59(49(43)65)39-21-23-40(24-22-39)60-48(64)42(32-52)34(6)44(50(60)66)56-54-38-20-16-18-36(30-38)46(62)58(27-13-9-3)28-14-10-4/h15-24,29-30,65-66H,7-14,25-28H2,1-6H3/b55-53+,56-54+.
What are the key properties of N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide?
N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide has a molecular weight of 893.06 g/mol, XLogP of 10.68, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-[[5-cyano-1-[4-[5-cyano-3-[[3-(dibutylcarbamoyl)phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]phenyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]benzamide is sourced from PubChem (CID 137043679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).