2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide

C17H18N4O — CID 82546658

IUPAC2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(N)cc1
InChIInChI=1S/C17H18N4O/c1-17(2,12-3-5-13(18)6-4-12)16(22)20-14-7-8-15-11(9-14)10-19-21-15/h3-10H,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFPYBKGNPHBZUGK-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.06
Rot. Bonds3

About 2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide

2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide (PubChem CID 82546658) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide
PubChem CID82546658
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(N)cc1
InChIInChI=1S/C17H18N4O/c1-17(2,12-3-5-13(18)6-4-12)16(22)20-14-7-8-15-11(9-14)10-19-21-15/h3-10H,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFPYBKGNPHBZUGK-UHFFFAOYSA-N
XLogP3.06
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide 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

(E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
CID 115343051
3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
CID 134037635
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
2-(4-aminophenyl)-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 80549578
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
3-amino-N-(1H-indazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807012
1-(1H-indazol-5-yl)-2-methylguanidine
CID 137381769
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
2-(4-aminophenyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpropanamide
CID 110451563
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
2-hydroxyethyl N-(1H-indazol-5-yl)carbamate
CID 79346712
2-bromo-N-(1H-indazol-5-yl)-3-methylbutanamide
CID 43698098

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide (CID 82546658) is 2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide?
The InChIKey is FPYBKGNPHBZUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-17(2,12-3-5-13(18)6-4-12)16(22)20-14-7-8-15-11(9-14)10-19-21-15/h3-10H,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide has a molecular weight of 294.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 82546658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).