N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide

C20H22N4O4 — CID 162674603

IUPACN'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide
SMILESCOc1cccc(-c2ccc3c(NC(=O)CCCCC(=O)NO)n[nH]c3c2)c1
InChIInChI=1S/C20H22N4O4/c1-28-15-6-4-5-13(11-15)14-9-10-16-17(12-14)22-23-20(16)21-18(25)7-2-3-8-19(26)24-27/h4-6,9-12,27H,2-3,7-8H2,1H3,(H,24,26)(H2,21,22,23,25)
InChIKeyWJUZCSPLBDPMTN-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.24
Rot. Bonds8

About N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide

N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide (PubChem CID 162674603) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide
PubChem CID162674603
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide
SMILESCOc1cccc(-c2ccc3c(NC(=O)CCCCC(=O)NO)n[nH]c3c2)c1
InChIInChI=1S/C20H22N4O4/c1-28-15-6-4-5-13(11-15)14-9-10-16-17(12-14)22-23-20(16)21-18(25)7-2-3-8-19(26)24-27/h4-6,9-12,27H,2-3,7-8H2,1H3,(H,24,26)(H2,21,22,23,25)
InChIKeyWJUZCSPLBDPMTN-UHFFFAOYSA-N
XLogP3.24
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-chlorophenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide
CID 162667220
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
CID 69069520
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-[6-(2-fluorophenyl)-1H-indazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 69061853
1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69062294
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69060604
2-[(2-chloroacetyl)amino]-N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]benzamide
CID 162674383
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69060568
N-hydroxy-8-(3-methoxyphenyl)octanamide
CID 155529506
1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea
CID 69070012

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide?
The IUPAC name of N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide (CID 162674603) is N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide.
What is the SMILES notation for N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide?
The canonical SMILES for N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide is COc1cccc(-c2ccc3c(NC(=O)CCCCC(=O)NO)n[nH]c3c2)c1.
What is the InChIKey of N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide?
The InChIKey is WJUZCSPLBDPMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-28-15-6-4-5-13(11-15)14-9-10-16-17(12-14)22-23-20(16)21-18(25)7-2-3-8-19(26)24-27/h4-6,9-12,27H,2-3,7-8H2,1H3,(H,24,26)(H2,21,22,23,25).
What are the key properties of N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide?
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide has a molecular weight of 382.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide is sourced from PubChem (CID 162674603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).