2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide

C19H22N6O4 — CID 132503236

IUPAC2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide
SMILESO=C(CCCCCCOc1ccccc1C(=O)Nc1ncnc2nc[nH]c12)NO
InChIInChI=1S/C19H22N6O4/c26-15(25-28)9-3-1-2-6-10-29-14-8-5-4-7-13(14)19(27)24-18-16-17(21-11-20-16)22-12-23-18/h4-5,7-8,11-12,28H,1-3,6,9-10H2,(H,25,26)(H2,20,21,22,23,24,27)
InChIKeyORNKVDXXKWHXNG-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.44
Rot. Bonds10

About 2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide

2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide (PubChem CID 132503236) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide.

Molecular Properties

Compound Name2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide
PubChem CID132503236
Molecular FormulaC19H22N6O4
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide
SMILESO=C(CCCCCCOc1ccccc1C(=O)Nc1ncnc2nc[nH]c12)NO
InChIInChI=1S/C19H22N6O4/c26-15(25-28)9-3-1-2-6-10-29-14-8-5-4-7-13(14)19(27)24-18-16-17(21-11-20-16)22-12-23-18/h4-5,7-8,11-12,28H,1-3,6,9-10H2,(H,25,26)(H2,20,21,22,23,24,27)
InChIKeyORNKVDXXKWHXNG-UHFFFAOYSA-N
XLogP2.44
TPSA142.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'}

Analyze 2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide 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

Tenalisib
CID 86291103
2-Methoxy-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 11111280
2-Ethoxy-N-({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)benzamide
CID 16031349
2-[8-(hydroxyamino)-8-oxooctoxy]-N-(7H-purin-6-yl)benzamide
CID 137648883
N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide
CID 162670578
N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide
CID 44591581
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide
CID 44591923
N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-2-methoxybenzamide
CID 44590254
N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-2-ethoxybenzamide
CID 44590387
2,5-dimethoxy-N-(9H-purin-6-yl)benzamide
CID 118727392
2-[6-(hydroxyamino)-6-oxohexoxy]-N-(7H-purin-6-yl)benzamide
CID 137639600
2-pentoxy-N-(7H-purin-6-yl)benzamide
CID 137643978

Frequently Asked Questions

What is the IUPAC name of 2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide?
The IUPAC name of 2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide (CID 132503236) is 2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide.
What is the SMILES notation for 2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide?
The canonical SMILES for 2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide is O=C(CCCCCCOc1ccccc1C(=O)Nc1ncnc2nc[nH]c12)NO.
What is the InChIKey of 2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide?
The InChIKey is ORNKVDXXKWHXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c26-15(25-28)9-3-1-2-6-10-29-14-8-5-4-7-13(14)19(27)24-18-16-17(21-11-20-16)22-12-23-18/h4-5,7-8,11-12,28H,1-3,6,9-10H2,(H,25,26)(H2,20,21,22,23,24,27).
What are the key properties of 2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide?
2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide has a molecular weight of 398.42 g/mol, XLogP of 2.44, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide is sourced from PubChem (CID 132503236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).