3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide

C26H21N5O6 — CID 137293433

IUPAC3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
SMILESCNC(=O)c1ccc(/N=N/c2c(O)c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc3ccccc23)c(OC)c1
InChIInChI=1S/C26H21N5O6/c1-27-25(33)16-10-11-21(22(13-16)37-2)29-30-23-19-9-4-3-6-15(19)12-20(24(23)32)26(34)28-17-7-5-8-18(14-17)31(35)36/h3-14,32H,1-2H3,(H,27,33)(H,28,34)/b30-29+
InChIKeyIXNIFQCOXKZTOF-QVIHXGFCSA-N
MW499.48 g/mol
LogP5.49
Rot. Bonds7

About 3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide

3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide (PubChem CID 137293433) has the molecular formula C26H21N5O6 and a molecular weight of 499.48 g/mol. Its IUPAC name is 3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
PubChem CID137293433
Molecular FormulaC26H21N5O6
Molecular Weight499.48 g/mol
Exact Mass499.15
IUPAC Name3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
SMILESCNC(=O)c1ccc(/N=N/c2c(O)c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc3ccccc23)c(OC)c1
InChIInChI=1S/C26H21N5O6/c1-27-25(33)16-10-11-21(22(13-16)37-2)29-30-23-19-9-4-3-6-15(19)12-20(24(23)32)26(34)28-17-7-5-8-18(14-17)31(35)36/h3-14,32H,1-2H3,(H,27,33)(H,28,34)/b30-29+
InChIKeyIXNIFQCOXKZTOF-QVIHXGFCSA-N
XLogP5.49
TPSA155.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.48
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 136830288
4-[[5-(ethylcarbamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137304865
3-hydroxy-4-[[2-methoxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137304849
4-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137304864
4-[[2-(dimethylcarbamoyl)-6-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137293468
3-hydroxy-4-[[2-methoxy-5-(propan-2-ylcarbamoyl)phenyl]diazenyl]-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 137293437
3-hydroxy-N-[3-[3-[[3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenoxy]phenyl]-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 163998747
3-[[3-[[2-hydroxy-3-[(3-nitrophenyl)carbamoyl]naphthalen-1-yl]diazenyl]-4-methylphenyl]sulfonylamino]benzenesulfonic acid
CID 136863286
4-[(4-cyano-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide;4-[(4-cyano-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide;4-[(4-cyano-1H-pyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide;4-[(4-cyano-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 160654883
3-hydroxy-4-[(4-methoxy-2-nitrophenyl)diazenyl]-N-naphthalen-1-ylnaphthalene-2-carboxamide
CID 136714418
N-(4-acetamido-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 137119809
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide (CID 137293433) is 3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide is CNC(=O)c1ccc(/N=N/c2c(O)c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc3ccccc23)c(OC)c1.
What is the InChIKey of 3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide?
The InChIKey is IXNIFQCOXKZTOF-QVIHXGFCSA-N. The full InChI is InChI=1S/C26H21N5O6/c1-27-25(33)16-10-11-21(22(13-16)37-2)29-30-23-19-9-4-3-6-15(19)12-20(24(23)32)26(34)28-17-7-5-8-18(14-17)31(35)36/h3-14,32H,1-2H3,(H,27,33)(H,28,34)/b30-29+.
What are the key properties of 3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide?
3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide has a molecular weight of 499.48 g/mol, XLogP of 5.49, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 137293433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).