4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide

C29H29ClN4O2 — CID 136620067

IUPAC4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
SMILESCCC(N)(CC)c1ccc(/N=N/c2c(O)c(C(=O)Nc3cc(Cl)ccc3C)cc3ccccc23)cc1
InChIInChI=1S/C29H29ClN4O2/c1-4-29(31,5-2)20-11-14-22(15-12-20)33-34-26-23-9-7-6-8-19(23)16-24(27(26)35)28(36)32-25-17-21(30)13-10-18(25)3/h6-17,35H,4-5,31H2,1-3H3,(H,32,36)/b34-33+
InChIKeyBUABTJRKYKFSIG-JEIPZWNWSA-N
MW501.03 g/mol
LogP8.15
Rot. Bonds7

About 4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide

4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 136620067) has the molecular formula C29H29ClN4O2 and a molecular weight of 501.03 g/mol. Its IUPAC name is 4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
PubChem CID136620067
Molecular FormulaC29H29ClN4O2
Molecular Weight501.03 g/mol
Exact Mass500.20
IUPAC Name4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
SMILESCCC(N)(CC)c1ccc(/N=N/c2c(O)c(C(=O)Nc3cc(Cl)ccc3C)cc3ccccc23)cc1
InChIInChI=1S/C29H29ClN4O2/c1-4-29(31,5-2)20-11-14-22(15-12-20)33-34-26-23-9-7-6-8-19(23)16-24(27(26)35)28(36)32-25-17-21(30)13-10-18(25)3/h6-17,35H,4-5,31H2,1-3H3,(H,32,36)/b34-33+
InChIKeyBUABTJRKYKFSIG-JEIPZWNWSA-N
XLogP8.15
TPSA100.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 58.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-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

1-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-2-hydroxy-N-(2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 136620032
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 3022731
4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline
CID 145160136
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515
ethyl 2-[[3-[[4-[[4-[(2-ethoxycarbonylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]benzoate
CID 136854850
4-[(4-carbamoylphenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 17740
3-chloro-2-[[3-[(5-chloro-2-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-6-methylbenzenesulfonic acid
CID 136855438
2-chloro-4-[[3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-6-methylbenzenesulfonic acid
CID 136855128
N-(2-chlorophenyl)-3-hydroxy-4-(methyldiazenyl)naphthalene-2-carboxamide
CID 135731643
(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
N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136629268
2-chloro-4-[[3-[(3-chloro-2-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-6-methylbenzenesulfonic acid
CID 136855337

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide (CID 136620067) is 4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for 4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide is CCC(N)(CC)c1ccc(/N=N/c2c(O)c(C(=O)Nc3cc(Cl)ccc3C)cc3ccccc23)cc1.
What is the InChIKey of 4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is BUABTJRKYKFSIG-JEIPZWNWSA-N. The full InChI is InChI=1S/C29H29ClN4O2/c1-4-29(31,5-2)20-11-14-22(15-12-20)33-34-26-23-9-7-6-8-19(23)16-24(27(26)35)28(36)32-25-17-21(30)13-10-18(25)3/h6-17,35H,4-5,31H2,1-3H3,(H,32,36)/b34-33+.
What are the key properties of 4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide?
4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 501.03 g/mol, XLogP of 8.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 136620067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).