N,1-bis(4-aminophenyl)indole-2-carboxamide

C21H18N4O — CID 159247569

IUPACN,1-bis(4-aminophenyl)indole-2-carboxamide
SMILESNc1ccc(NC(=O)c2cc3ccccc3n2-c2ccc(N)cc2)cc1
InChIInChI=1S/C21H18N4O/c22-15-5-9-17(10-6-15)24-21(26)20-13-14-3-1-2-4-19(14)25(20)18-11-7-16(23)8-12-18/h1-13H,22-23H2,(H,24,26)
InChIKeyMSIKFCQJAAWLDM-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.05
Rot. Bonds3

About N,1-bis(4-aminophenyl)indole-2-carboxamide

N,1-bis(4-aminophenyl)indole-2-carboxamide (PubChem CID 159247569) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N,1-bis(4-aminophenyl)indole-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(4-aminophenyl)indole-2-carboxamide
PubChem CID159247569
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN,1-bis(4-aminophenyl)indole-2-carboxamide
SMILESNc1ccc(NC(=O)c2cc3ccccc3n2-c2ccc(N)cc2)cc1
InChIInChI=1S/C21H18N4O/c22-15-5-9-17(10-6-15)24-21(26)20-13-14-3-1-2-4-19(14)25(20)18-11-7-16(23)8-12-18/h1-13H,22-23H2,(H,24,26)
InChIKeyMSIKFCQJAAWLDM-UHFFFAOYSA-N
XLogP4.05
TPSA86.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide
CID 60527502
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
1-(3,5-dimethylphenyl)indole-2-carboxamide
CID 175028447
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 174549252
5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 47072560
N-(4-aminophenyl)-2,6-dihydroxybenzamide
CID 107687533
5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 42808752
N-(4-aminophenyl)benzamide;ethane;ethene
CID 144544387
N-(4-aminophenyl)-2-selanylbenzamide
CID 137348544
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide
CID 166206735

Frequently Asked Questions

What is the IUPAC name of N,1-bis(4-aminophenyl)indole-2-carboxamide?
The IUPAC name of N,1-bis(4-aminophenyl)indole-2-carboxamide (CID 159247569) is N,1-bis(4-aminophenyl)indole-2-carboxamide.
What is the SMILES notation for N,1-bis(4-aminophenyl)indole-2-carboxamide?
The canonical SMILES for N,1-bis(4-aminophenyl)indole-2-carboxamide is Nc1ccc(NC(=O)c2cc3ccccc3n2-c2ccc(N)cc2)cc1.
What is the InChIKey of N,1-bis(4-aminophenyl)indole-2-carboxamide?
The InChIKey is MSIKFCQJAAWLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c22-15-5-9-17(10-6-15)24-21(26)20-13-14-3-1-2-4-19(14)25(20)18-11-7-16(23)8-12-18/h1-13H,22-23H2,(H,24,26).
What are the key properties of N,1-bis(4-aminophenyl)indole-2-carboxamide?
N,1-bis(4-aminophenyl)indole-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(4-aminophenyl)indole-2-carboxamide is sourced from PubChem (CID 159247569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).