N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide

C25H20N4O5 — CID 136994644

IUPACN-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCC(=O)c1coc(C(C)=O)c1/N=N/c1c(O)c(C(=O)Nc2ccc(N)cc2)cc2ccccc12
InChIInChI=1S/C25H20N4O5/c1-13(30)20-12-34-24(14(2)31)22(20)29-28-21-18-6-4-3-5-15(18)11-19(23(21)32)25(33)27-17-9-7-16(26)8-10-17/h3-12,32H,26H2,1-2H3,(H,27,33)/b29-28+
InChIKeySJCGYDPHIJKVNB-ZQHSETAFSA-N
MW456.46 g/mol
LogP5.79
Rot. Bonds6

About N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide

N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 136994644) has the molecular formula C25H20N4O5 and a molecular weight of 456.46 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID136994644
Molecular FormulaC25H20N4O5
Molecular Weight456.46 g/mol
Exact Mass456.14
IUPAC NameN-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCC(=O)c1coc(C(C)=O)c1/N=N/c1c(O)c(C(=O)Nc2ccc(N)cc2)cc2ccccc12
InChIInChI=1S/C25H20N4O5/c1-13(30)20-12-34-24(14(2)31)22(20)29-28-21-18-6-4-3-5-15(18)11-19(23(21)32)25(33)27-17-9-7-16(26)8-10-17/h3-12,32H,26H2,1-2H3,(H,27,33)/b29-28+
InChIKeySJCGYDPHIJKVNB-ZQHSETAFSA-N
XLogP5.79
TPSA147.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide
CID 136599111
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
4-[(2-chloro-3-methylphenyl)diazenyl]-N-[4-[[4-[(2-chloro-3-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136854780
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
(3,5-dichlorophenyl) 5-[[3-[[4-[[4-[[3-(3,5-dichlorophenoxy)carbonyl-4-methylphenyl]diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzoate
CID 136854742
3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
CID 135731626
3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane
CID 162195447
2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide
CID 136598391
4-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 136912096
N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 177482631
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide (CID 136994644) is N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide is CC(=O)c1coc(C(C)=O)c1/N=N/c1c(O)c(C(=O)Nc2ccc(N)cc2)cc2ccccc12.
What is the InChIKey of N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is SJCGYDPHIJKVNB-ZQHSETAFSA-N. The full InChI is InChI=1S/C25H20N4O5/c1-13(30)20-12-34-24(14(2)31)22(20)29-28-21-18-6-4-3-5-15(18)11-19(23(21)32)25(33)27-17-9-7-16(26)8-10-17/h3-12,32H,26H2,1-2H3,(H,27,33)/b29-28+.
What are the key properties of N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide?
N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 456.46 g/mol, XLogP of 5.79, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-[(2,4-diacetylfuran-3-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 136994644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).