2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide

C16H16N4O2 — CID 22693446

IUPAC2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2ncc3ccc(N)cc32)c1
InChIInChI=1S/C16H16N4O2/c1-22-14-4-2-3-13(8-14)19-16(21)10-20-15-7-12(17)6-5-11(15)9-18-20/h2-9H,10,17H2,1H3,(H,19,21)
InChIKeyLBILSGZRRFAWDJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.27
Rot. Bonds4

About 2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide

2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 22693446) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID22693446
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2ncc3ccc(N)cc32)c1
InChIInChI=1S/C16H16N4O2/c1-22-14-4-2-3-13(8-14)19-16(21)10-20-15-7-12(17)6-5-11(15)9-18-20/h2-9H,10,17H2,1H3,(H,19,21)
InChIKeyLBILSGZRRFAWDJ-UHFFFAOYSA-N
XLogP2.27
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 19517730
N-(3-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048494
2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 22693487
N-(1-ethylindazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 47083910
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 60911842
2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22693387
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55878594
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 53201654
N-(3-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900394

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide (CID 22693446) is 2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2ncc3ccc(N)cc32)c1.
What is the InChIKey of 2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is LBILSGZRRFAWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-22-14-4-2-3-13(8-14)19-16(21)10-20-15-7-12(17)6-5-11(15)9-18-20/h2-9H,10,17H2,1H3,(H,19,21).
What are the key properties of 2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide?
2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 22693446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).