2-(6-aminoindazol-1-yl)-N-benzylacetamide

C16H16N4O — CID 22693453

IUPAC2-(6-aminoindazol-1-yl)-N-benzylacetamide
SMILESNc1ccc2cnn(CC(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C16H16N4O/c17-14-7-6-13-10-19-20(15(13)8-14)11-16(21)18-9-12-4-2-1-3-5-12/h1-8,10H,9,11,17H2,(H,18,21)
InChIKeyNNSRKVHKVCKTLG-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.93
Rot. Bonds4

About 2-(6-aminoindazol-1-yl)-N-benzylacetamide

2-(6-aminoindazol-1-yl)-N-benzylacetamide (PubChem CID 22693453) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(6-aminoindazol-1-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(6-aminoindazol-1-yl)-N-benzylacetamide
PubChem CID22693453
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(6-aminoindazol-1-yl)-N-benzylacetamide
SMILESNc1ccc2cnn(CC(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C16H16N4O/c17-14-7-6-13-10-19-20(15(13)8-14)11-16(21)18-9-12-4-2-1-3-5-12/h1-8,10H,9,11,17H2,(H,18,21)
InChIKeyNNSRKVHKVCKTLG-UHFFFAOYSA-N
XLogP1.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22693387
1-(2-phenylethyl)indazol-6-amine
CID 22693545
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
2-(5-aminoindol-1-yl)-N-benzylacetamide
CID 43342948
2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 22509817
N-[(4-methylphenyl)methyl]-2-(6-nitroindazol-1-yl)acetamide
CID 16797364
2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 22693446
2-indazol-1-yl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 56782819
N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide
CID 22509900
2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 22509892
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
2-(5-aminoindazol-1-yl)-N-methylacetamide
CID 89156128

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoindazol-1-yl)-N-benzylacetamide?
The IUPAC name of 2-(6-aminoindazol-1-yl)-N-benzylacetamide (CID 22693453) is 2-(6-aminoindazol-1-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(6-aminoindazol-1-yl)-N-benzylacetamide?
The canonical SMILES for 2-(6-aminoindazol-1-yl)-N-benzylacetamide is Nc1ccc2cnn(CC(=O)NCc3ccccc3)c2c1.
What is the InChIKey of 2-(6-aminoindazol-1-yl)-N-benzylacetamide?
The InChIKey is NNSRKVHKVCKTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-14-7-6-13-10-19-20(15(13)8-14)11-16(21)18-9-12-4-2-1-3-5-12/h1-8,10H,9,11,17H2,(H,18,21).
What are the key properties of 2-(6-aminoindazol-1-yl)-N-benzylacetamide?
2-(6-aminoindazol-1-yl)-N-benzylacetamide has a molecular weight of 280.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoindazol-1-yl)-N-benzylacetamide is sourced from PubChem (CID 22693453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).