N-(1-adamantyl)-1H-indazole-3-carboxamide

C18H21N3O — CID 16866369

IUPACN-(1-adamantyl)-1H-indazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1n[nH]c2ccccc12
InChIInChI=1S/C18H21N3O/c22-17(16-14-3-1-2-4-15(14)20-21-16)19-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,19,22)(H,20,21)
InChIKeyCMBJQJBQELVJHE-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.26
Rot. Bonds2

About N-(1-adamantyl)-1H-indazole-3-carboxamide

N-(1-adamantyl)-1H-indazole-3-carboxamide (PubChem CID 16866369) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(1-adamantyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1H-indazole-3-carboxamide
PubChem CID16866369
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(1-adamantyl)-1H-indazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1n[nH]c2ccccc12
InChIInChI=1S/C18H21N3O/c22-17(16-14-3-1-2-4-15(14)20-21-16)19-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,19,22)(H,20,21)
InChIKeyCMBJQJBQELVJHE-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Facinicline
CID 9970357
5-Fluoro-apinaca
CID 71711119
1H-Indazole-3-carboxamide
CID 20978176
Fub-apinaca
CID 118796517
N-Phenyl-1H-indazole-3-carboxamide
CID 9341021
N-cyclopentyl-1H-indazole-3-carboxamide
CID 2563801
Facinicline hydrochloride
CID 10380472
Cumyl-inaca
CID 117645167
4F-Abinaca
CID 118796478
N-(3-methylphenyl)-1H-indazole-3-carboxamide
CID 1505876
N-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]methyl]-5-methyl-1H-indazole-3-carboxamide
CID 9889536

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1H-indazole-3-carboxamide (CID 16866369) is N-(1-adamantyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1H-indazole-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1n[nH]c2ccccc12.
What is the InChIKey of N-(1-adamantyl)-1H-indazole-3-carboxamide?
The InChIKey is CMBJQJBQELVJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-17(16-14-3-1-2-4-15(14)20-21-16)19-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,19,22)(H,20,21).
What are the key properties of N-(1-adamantyl)-1H-indazole-3-carboxamide?
N-(1-adamantyl)-1H-indazole-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 16866369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).