N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide

C17H18N4O — CID 10085818

IUPACN-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(N)cc3)ccc12
InChIInChI=1S/C17H18N4O/c1-2-3-16(22)19-17-14-9-6-12(10-15(14)20-21-17)11-4-7-13(18)8-5-11/h4-10H,2-3,18H2,1H3,(H2,19,20,21,22)
InChIKeyDCCRABAZYMVLJU-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.55
Rot. Bonds4

About N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide

N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide (PubChem CID 10085818) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide
PubChem CID10085818
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(N)cc3)ccc12
InChIInChI=1S/C17H18N4O/c1-2-3-16(22)19-17-14-9-6-12(10-15(14)20-21-17)11-4-7-13(18)8-5-11/h4-10H,2-3,18H2,1H3,(H2,19,20,21,22)
InChIKeyDCCRABAZYMVLJU-UHFFFAOYSA-N
XLogP3.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide (CID 10085818) is N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(N)cc3)ccc12.
What is the InChIKey of N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is DCCRABAZYMVLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-3-16(22)19-17-14-9-6-12(10-15(14)20-21-17)11-4-7-13(18)8-5-11/h4-10H,2-3,18H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide?
N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 294.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-aminophenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 10085818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).