N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide

C16H16N4O — CID 62141660

IUPACN-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
SMILESCc1ccc(N)cc1NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C16H16N4O/c1-11-6-7-13(17)8-14(11)19-16(21)10-20-15-5-3-2-4-12(15)9-18-20/h2-9H,10,17H2,1H3,(H,19,21)
InChIKeyNILMBPAENNBKIJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide

N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide (PubChem CID 62141660) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
PubChem CID62141660
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
SMILESCc1ccc(N)cc1NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C16H16N4O/c1-11-6-7-13(17)8-14(11)19-16(21)10-20-15-5-3-2-4-12(15)9-18-20/h2-9H,10,17H2,1H3,(H,19,21)
InChIKeyNILMBPAENNBKIJ-UHFFFAOYSA-N
XLogP2.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
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

N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
CID 75469207
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22693387
N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225538
N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 54909628
2-(5-aminoindazol-1-yl)-N-methylacetamide
CID 89156128
N-(2-methyl-5-methylsulfonylphenyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 46568161
N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 62057473
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide (CID 62141660) is N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide is Cc1ccc(N)cc1NC(=O)Cn1ncc2ccccc21.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide?
The InChIKey is NILMBPAENNBKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-6-7-13(17)8-14(11)19-16(21)10-20-15-5-3-2-4-12(15)9-18-20/h2-9H,10,17H2,1H3,(H,19,21).
What are the key properties of N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide?
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide has a molecular weight of 280.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide is sourced from PubChem (CID 62141660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).