2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane

C31H47N5O3 — CID 159881339

IUPAC2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane
SMILESC.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1/N=N/c1c(C)c(C#N)c(O)[nH]c1=O
InChIInChI=1S/C30H43N5O3.CH4/c1-6-10-14-22(8-3)19-35(20-23(9-4)15-11-7-2)30(38)24-16-12-13-17-26(24)33-34-27-21(5)25(18-31)28(36)32-29(27)37;/h12-13,16-17,22-23H,6-11,14-15,19-20H2,1-5H3,(H2,32,36,37);1H4/b34-33+;
InChIKeyNTOHZZAHPUUTFL-GGTLNOMSSA-N
MW537.75 g/mol
LogP8.19
Rot. Bonds15

About 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane

2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane (PubChem CID 159881339) has the molecular formula C31H47N5O3 and a molecular weight of 537.75 g/mol. Its IUPAC name is 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane.

Molecular Properties

Compound Name2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane
PubChem CID159881339
Molecular FormulaC31H47N5O3
Molecular Weight537.75 g/mol
Exact Mass537.37
IUPAC Name2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane
SMILESC.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1/N=N/c1c(C)c(C#N)c(O)[nH]c1=O
InChIInChI=1S/C30H43N5O3.CH4/c1-6-10-14-22(8-3)19-35(20-23(9-4)15-11-7-2)30(38)24-16-12-13-17-26(24)33-34-27-21(5)25(18-31)28(36)32-29(27)37;/h12-13,16-17,22-23H,6-11,14-15,19-20H2,1-5H3,(H2,32,36,37);1H4/b34-33+;
InChIKeyNTOHZZAHPUUTFL-GGTLNOMSSA-N
XLogP8.19
TPSA121.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.75
LogP ≤ 58.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide
CID 137062042
N,N-bis(3-amino-2-ethylhexyl)-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzenesulfonamide
CID 137128380
2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1-phenyl-3-pyridinyl)diazenyl]-N,N-bis(2-ethylhexyl)benzenesulfonamide
CID 140899746
5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid
CID 2025368
N,N-bis(2-ethylhexyl)-2-nitrobenzamide;methane
CID 157108849
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
4-[(1,4-dibutyl-5-cyano-6-hydroxy-2-oxo-3-pyridinyl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide
CID 140899728
5-[[2-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-6-chloro-4-methyl-2-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-carboxamide;ethyl 4-amino-5-[[2-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate;ethyl 5-[[4-[bis(2-ethylhexyl)carbamoyl]phenyl]diazenyl]-2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-carboxylate;ethyl 5-[[3-[bis(2-ethylhexyl)sulfamoyl]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate;5-[[2-[2-ethylhexyl(2-propylhexyl)sulfamoyl]phenyl]diazenyl]-2-hydroxy-4-methyl-6-oxo-N,N-dipropyl-1H-pyridine-3-carboxamide
CID 161205472
N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide
CID 91717598
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-(2-ethylhexyl)-2-hydroxy-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile;1-ethyl-2-hydroxy-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxopyridine-3-carboxamide
CID 158436888
1-butyl-2-hydroxy-5-[(2-methoxyphenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835797

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane?
The IUPAC name of 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane (CID 159881339) is 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane.
What is the SMILES notation for 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane?
The canonical SMILES for 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane is C.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1/N=N/c1c(C)c(C#N)c(O)[nH]c1=O.
What is the InChIKey of 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane?
The InChIKey is NTOHZZAHPUUTFL-GGTLNOMSSA-N. The full InChI is InChI=1S/C30H43N5O3.CH4/c1-6-10-14-22(8-3)19-35(20-23(9-4)15-11-7-2)30(38)24-16-12-13-17-26(24)33-34-27-21(5)25(18-31)28(36)32-29(27)37;/h12-13,16-17,22-23H,6-11,14-15,19-20H2,1-5H3,(H2,32,36,37);1H4/b34-33+;.
What are the key properties of 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane?
2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane has a molecular weight of 537.75 g/mol, XLogP of 8.19, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane is sourced from PubChem (CID 159881339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).