4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide

C25H19N5O6 — CID 136830288

IUPAC4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(C(N)=O)cc1/N=N/c1c(O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2ccccc12
InChIInChI=1S/C25H19N5O6/c1-36-21-10-9-15(24(26)32)12-20(21)28-29-22-18-8-3-2-5-14(18)11-19(23(22)31)25(33)27-16-6-4-7-17(13-16)30(34)35/h2-13,31H,1H3,(H2,26,32)(H,27,33)/b29-28+
InChIKeyLHTBIXQCGQPUIR-ZQHSETAFSA-N
MW485.46 g/mol
LogP5.23
Rot. Bonds7

About 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide

4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide (PubChem CID 136830288) has the molecular formula C25H19N5O6 and a molecular weight of 485.46 g/mol. Its IUPAC name is 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
PubChem CID136830288
Molecular FormulaC25H19N5O6
Molecular Weight485.46 g/mol
Exact Mass485.13
IUPAC Name4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(C(N)=O)cc1/N=N/c1c(O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2ccccc12
InChIInChI=1S/C25H19N5O6/c1-36-21-10-9-15(24(26)32)12-20(21)28-29-22-18-8-3-2-5-14(18)11-19(23(22)31)25(33)27-16-6-4-7-17(13-16)30(34)35/h2-13,31H,1H3,(H2,26,32)(H,27,33)/b29-28+
InChIKeyLHTBIXQCGQPUIR-ZQHSETAFSA-N
XLogP5.23
TPSA169.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.46
LogP ≤ 55.23
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'}

Analyze 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137293433
3-hydroxy-4-[[2-methoxy-5-(propan-2-ylcarbamoyl)phenyl]diazenyl]-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 137293437
4-[[2-(dimethylcarbamoyl)-6-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137293468
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
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 136706044
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 3022731
N-(4-acetamido-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 137119809
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

Frequently Asked Questions

What is the IUPAC name of 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide?
The IUPAC name of 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide (CID 136830288) is 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide?
The canonical SMILES for 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide is COc1ccc(C(N)=O)cc1/N=N/c1c(O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2ccccc12.
What is the InChIKey of 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide?
The InChIKey is LHTBIXQCGQPUIR-ZQHSETAFSA-N. The full InChI is InChI=1S/C25H19N5O6/c1-36-21-10-9-15(24(26)32)12-20(21)28-29-22-18-8-3-2-5-14(18)11-19(23(22)31)25(33)27-16-6-4-7-17(13-16)30(34)35/h2-13,31H,1H3,(H2,26,32)(H,27,33)/b29-28+.
What are the key properties of 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide?
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide has a molecular weight of 485.46 g/mol, XLogP of 5.23, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 136830288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).