N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide

C20H21N3O — CID 69064177

IUPACN-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
SMILESCc1cccc(C)c1-c1ccc2c(NC(=O)C3CCC3)n[nH]c2c1
InChIInChI=1S/C20H21N3O/c1-12-5-3-6-13(2)18(12)15-9-10-16-17(11-15)22-23-19(16)21-20(24)14-7-4-8-14/h3,5-6,9-11,14H,4,7-8H2,1-2H3,(H2,21,22,23,24)
InChIKeyLDELHRJMYQBXIB-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.59
Rot. Bonds3

About N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide

N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide (PubChem CID 69064177) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
PubChem CID69064177
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
SMILESCc1cccc(C)c1-c1ccc2c(NC(=O)C3CCC3)n[nH]c2c1
InChIInChI=1S/C20H21N3O/c1-12-5-3-6-13(2)18(12)15-9-10-16-17(11-15)22-23-19(16)21-20(24)14-7-4-8-14/h3,5-6,9-11,14H,4,7-8H2,1-2H3,(H2,21,22,23,24)
InChIKeyLDELHRJMYQBXIB-UHFFFAOYSA-N
XLogP4.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065843
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69059640
N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065189
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69062286
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide
CID 69059504
N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide
CID 155535984
N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]cyclopentanecarboxamide
CID 69065075
N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155566480
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155807685
N-[6-(6-oxo-1H-pyridin-3-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539601

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide (CID 69064177) is N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide is Cc1cccc(C)c1-c1ccc2c(NC(=O)C3CCC3)n[nH]c2c1.
What is the InChIKey of N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide?
The InChIKey is LDELHRJMYQBXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-12-5-3-6-13(2)18(12)15-9-10-16-17(11-15)22-23-19(16)21-20(24)14-7-4-8-14/h3,5-6,9-11,14H,4,7-8H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide?
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 69064177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).