N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide

C16H16N4O — CID 62141857

IUPACN-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
SMILESCc1c(N)cccc1NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C16H16N4O/c1-11-13(17)6-4-7-14(11)19-16(21)10-20-15-8-3-2-5-12(15)9-18-20/h2-9H,10,17H2,1H3,(H,19,21)
InChIKeyGYLDYXQATCYWQR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds3

About N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide

N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide (PubChem CID 62141857) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
PubChem CID62141857
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
SMILESCc1c(N)cccc1NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C16H16N4O/c1-11-13(17)6-4-7-14(11)19-16(21)10-20-15-8-3-2-5-12(15)9-18-20/h2-9H,10,17H2,1H3,(H,19,21)
InChIKeyGYLDYXQATCYWQR-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'}

Analyze N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide
CID 43247265
N-(3-amino-2-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62851005
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206392
3-(indazol-1-ylmethyl)-2-methylaniline
CID 62141477
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide
CID 71994539
methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate
CID 97260617
5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
CID 75469207

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide (CID 62141857) is N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide is Cc1c(N)cccc1NC(=O)Cn1ncc2ccccc21.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide?
The InChIKey is GYLDYXQATCYWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-13(17)6-4-7-14(11)19-16(21)10-20-15-8-3-2-5-12(15)9-18-20/h2-9H,10,17H2,1H3,(H,19,21).
What are the key properties of N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide?
N-(3-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-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide is sourced from PubChem (CID 62141857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).