5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide

C20H17BrN4O2 — CID 155543814

IUPAC5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide
SMILESCOc1ccc2[nH]cc(/C=N\NC(=O)c3cn(C)c4ccc(Br)cc34)c2c1
InChIInChI=1S/C20H17BrN4O2/c1-25-11-17(16-7-13(21)3-6-19(16)25)20(26)24-23-10-12-9-22-18-5-4-14(27-2)8-15(12)18/h3-11,22H,1-2H3,(H,24,26)/b23-10-
InChIKeyZGWALWSNZRJOHN-RMORIDSASA-N
MW425.29 g/mol
LogP4.19
Rot. Bonds4

About 5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide

5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide (PubChem CID 155543814) has the molecular formula C20H17BrN4O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide
PubChem CID155543814
Molecular FormulaC20H17BrN4O2
Molecular Weight425.29 g/mol
Exact Mass424.05
IUPAC Name5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide
SMILESCOc1ccc2[nH]cc(/C=N\NC(=O)c3cn(C)c4ccc(Br)cc34)c2c1
InChIInChI=1S/C20H17BrN4O2/c1-25-11-17(16-7-13(21)3-6-19(16)25)20(26)24-23-10-12-9-22-18-5-4-14(27-2)8-15(12)18/h3-11,22H,1-2H3,(H,24,26)/b23-10-
InChIKeyZGWALWSNZRJOHN-RMORIDSASA-N
XLogP4.19
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide?
The IUPAC name of 5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide (CID 155543814) is 5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide is COc1ccc2[nH]cc(/C=N\NC(=O)c3cn(C)c4ccc(Br)cc34)c2c1.
What is the InChIKey of 5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide?
The InChIKey is ZGWALWSNZRJOHN-RMORIDSASA-N. The full InChI is InChI=1S/C20H17BrN4O2/c1-25-11-17(16-7-13(21)3-6-19(16)25)20(26)24-23-10-12-9-22-18-5-4-14(27-2)8-15(12)18/h3-11,22H,1-2H3,(H,24,26)/b23-10-.
What are the key properties of 5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide?
5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide has a molecular weight of 425.29 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-methylindole-3-carboxamide is sourced from PubChem (CID 155543814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).