N-(2-aminophenyl)-1-benzylindazole-5-carboxamide

C21H18N4O — CID 78325027

IUPACN-(2-aminophenyl)-1-benzylindazole-5-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C21H18N4O/c22-18-8-4-5-9-19(18)24-21(26)16-10-11-20-17(12-16)13-23-25(20)14-15-6-2-1-3-7-15/h1-13H,14,22H2,(H,24,26)
InChIKeyJUZVPDLAEWLDGT-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.92
Rot. Bonds4

About N-(2-aminophenyl)-1-benzylindazole-5-carboxamide

N-(2-aminophenyl)-1-benzylindazole-5-carboxamide (PubChem CID 78325027) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-benzylindazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-benzylindazole-5-carboxamide
PubChem CID78325027
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(2-aminophenyl)-1-benzylindazole-5-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C21H18N4O/c22-18-8-4-5-9-19(18)24-21(26)16-10-11-20-17(12-16)13-23-25(20)14-15-6-2-1-3-7-15/h1-13H,14,22H2,(H,24,26)
InChIKeyJUZVPDLAEWLDGT-UHFFFAOYSA-N
XLogP3.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.92
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-(2-aminophenyl)-2-benzylindazole-5-carboxamide
CID 86299757
N-(2-amino-4-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide
CID 135242542
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
CID 90116038
5-[(5-acetamidoindazol-1-yl)methyl]-N-(2-aminophenyl)thiophene-2-carboxamide
CID 59341356
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid
CID 59341274
1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid
CID 169188030
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
CID 24990408
1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75468059
3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide
CID 68669237

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-benzylindazole-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-1-benzylindazole-5-carboxamide (CID 78325027) is N-(2-aminophenyl)-1-benzylindazole-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-1-benzylindazole-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-1-benzylindazole-5-carboxamide is Nc1ccccc1NC(=O)c1ccc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of N-(2-aminophenyl)-1-benzylindazole-5-carboxamide?
The InChIKey is JUZVPDLAEWLDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c22-18-8-4-5-9-19(18)24-21(26)16-10-11-20-17(12-16)13-23-25(20)14-15-6-2-1-3-7-15/h1-13H,14,22H2,(H,24,26).
What are the key properties of N-(2-aminophenyl)-1-benzylindazole-5-carboxamide?
N-(2-aminophenyl)-1-benzylindazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-benzylindazole-5-carboxamide is sourced from PubChem (CID 78325027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).