5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide

C23H21N5O2 — CID 71476059

IUPAC5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1
InChIInChI=1S/C23H21N5O2/c24-17-9-10-19-16(11-17)12-21(27-19)23(30)26-13-14-5-7-15(8-6-14)22(29)28-20-4-2-1-3-18(20)25/h1-12,27H,13,24-25H2,(H,26,30)(H,28,29)
InChIKeyISSGOUNSISOZAD-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.51
Rot. Bonds5

About 5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide

5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 71476059) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID71476059
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1
InChIInChI=1S/C23H21N5O2/c24-17-9-10-19-16(11-17)12-21(27-19)23(30)26-13-14-5-7-15(8-6-14)22(29)28-20-4-2-1-3-18(20)25/h1-12,27H,13,24-25H2,(H,26,30)(H,28,29)
InChIKeyISSGOUNSISOZAD-UHFFFAOYSA-N
XLogP3.51
TPSA126.03 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide 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 5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide (CID 71476059) is 5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1.
What is the InChIKey of 5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is ISSGOUNSISOZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c24-17-9-10-19-16(11-17)12-21(27-19)23(30)26-13-14-5-7-15(8-6-14)22(29)28-20-4-2-1-3-18(20)25/h1-12,27H,13,24-25H2,(H,26,30)(H,28,29).
What are the key properties of 5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide?
5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71476059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).