N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide

C25H34N4O3 — CID 147511627

IUPACN-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide
SMILESO=C(CCCCCCn1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21)NO
InChIInChI=1S/C25H34N4O3/c30-22(28-32)9-3-1-2-6-10-29-21-8-5-4-7-20(21)24(27-29)25(31)26-23-18-12-16-11-17(14-18)15-19(23)13-16/h4-5,7-8,16-19,23,32H,1-3,6,9-15H2,(H,26,31)(H,28,30)
InChIKeyFJKNOBWYTIDZFS-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.05
Rot. Bonds9

About N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide

N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide (PubChem CID 147511627) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide
PubChem CID147511627
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide
SMILESO=C(CCCCCCn1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21)NO
InChIInChI=1S/C25H34N4O3/c30-22(28-32)9-3-1-2-6-10-29-21-8-5-4-7-20(21)24(27-29)25(31)26-23-18-12-16-11-17(14-18)15-19(23)13-16/h4-5,7-8,16-19,23,32H,1-3,6,9-15H2,(H,26,31)(H,28,30)
InChIKeyFJKNOBWYTIDZFS-UHFFFAOYSA-N
XLogP4.05
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.05
H-Bond Donors ≤ 53
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

5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid
CID 124518899
N-(2-adamantyl)-1-(5-chloropentyl)-4-methyl-5-phenylpyrazole-3-carboxamide
CID 21064883
N-(2-adamantyl)isoquinoline-1-carboxamide
CID 59799646
N-methyl-1-pent-4-enylindazole-3-carboxamide
CID 169175669
1-(5-amino-5-oxopentyl)-N-[1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 70969741
N-(2-methylbut-3-en-2-yl)-1-pentylindazole-3-carboxamide
CID 123429310
1-(5-fluoropentyl)indazole-3-carboxylic acid
CID 102334108
methyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 68501253
4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
CID 175145821
methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate
CID 102333976
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide
CID 15485212
3-[[1-(3-nitrooxypropyl)indazole-3-carbonyl]amino]adamantane-1-carboxylic acid
CID 78324214

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide (CID 147511627) is N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide is O=C(CCCCCCn1nc(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21)NO.
What is the InChIKey of N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide?
The InChIKey is FJKNOBWYTIDZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c30-22(28-32)9-3-1-2-6-10-29-21-8-5-4-7-20(21)24(27-29)25(31)26-23-18-12-16-11-17(14-18)15-19(23)13-16/h4-5,7-8,16-19,23,32H,1-3,6,9-15H2,(H,26,31)(H,28,30).
What are the key properties of N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide?
N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 4.05, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-[7-(hydroxyamino)-7-oxoheptyl]indazole-3-carboxamide is sourced from PubChem (CID 147511627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).