N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide

C14H18N4O4 — CID 164625511

IUPACN-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide
SMILESO=C(CCCCCONC(=O)c1n[nH]c2ccccc12)NO
InChIInChI=1S/C14H18N4O4/c19-12(17-21)8-2-1-5-9-22-18-14(20)13-10-6-3-4-7-11(10)15-16-13/h3-4,6-7,21H,1-2,5,8-9H2,(H,15,16)(H,17,19)(H,18,20)
InChIKeyFTGBBYRRLLPSKA-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.29
Rot. Bonds8

About N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide

N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide (PubChem CID 164625511) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide
PubChem CID164625511
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide
SMILESO=C(CCCCCONC(=O)c1n[nH]c2ccccc12)NO
InChIInChI=1S/C14H18N4O4/c19-12(17-21)8-2-1-5-9-22-18-14(20)13-10-6-3-4-7-11(10)15-16-13/h3-4,6-7,21H,1-2,5,8-9H2,(H,15,16)(H,17,19)(H,18,20)
InChIKeyFTGBBYRRLLPSKA-UHFFFAOYSA-N
XLogP1.29
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.29
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

1H-Indazole-3-carboxamide
CID 20978176
N'-benzoyl-1H-indazole-3-carbohydrazide
CID 4789701
1-(1H-indazol-3-yl)ethan-1-one
CID 15684169
Indazole-3-carbaldehyde
CID 11367068
N-methyl-1H-indazole-3-carboxamide
CID 42477796
5-Nitro-2H-indazole-3-carbaldehyde
CID 21409181
1H-indazole-3-carbohydrazide
CID 2727853
7-methyl-1H-indazole-3-carbaldehyde
CID 21032425
5-Fluoro-1H-indazole-3-carbaldehyde
CID 22056130
5-methyl-1H-indazole-3-carbaldehyde
CID 22477842
6-nitro-1H-indazole-3-carbaldehyde
CID 23118858
5-amino-1H-indazole-3-carboxamide
CID 60904755

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide (CID 164625511) is N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide is O=C(CCCCCONC(=O)c1n[nH]c2ccccc12)NO.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide?
The InChIKey is FTGBBYRRLLPSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c19-12(17-21)8-2-1-5-9-22-18-14(20)13-10-6-3-4-7-11(10)15-16-13/h3-4,6-7,21H,1-2,5,8-9H2,(H,15,16)(H,17,19)(H,18,20).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide?
N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 1.29, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexoxy]-1H-indazole-3-carboxamide is sourced from PubChem (CID 164625511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).