5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide

C19H15BrN4O — CID 155528653

IUPAC5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)N/N=C\c2c[nH]c3ccccc23)c2cc(Br)ccc21
InChIInChI=1S/C19H15BrN4O/c1-24-11-16(15-8-13(20)6-7-18(15)24)19(25)23-22-10-12-9-21-17-5-3-2-4-14(12)17/h2-11,21H,1H3,(H,23,25)/b22-10-
InChIKeyGYIPRXMIWAZVII-YVNNLAQVSA-N
MW395.26 g/mol
LogP4.19
Rot. Bonds3

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

5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide (PubChem CID 155528653) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide
PubChem CID155528653
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)N/N=C\c2c[nH]c3ccccc23)c2cc(Br)ccc21
InChIInChI=1S/C19H15BrN4O/c1-24-11-16(15-8-13(20)6-7-18(15)24)19(25)23-22-10-12-9-21-17-5-3-2-4-14(12)17/h2-11,21H,1H3,(H,23,25)/b22-10-
InChIKeyGYIPRXMIWAZVII-YVNNLAQVSA-N
XLogP4.19
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide?
The IUPAC name of 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide (CID 155528653) is 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide is Cn1cc(C(=O)N/N=C\c2c[nH]c3ccccc23)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide?
The InChIKey is GYIPRXMIWAZVII-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-24-11-16(15-8-13(20)6-7-18(15)24)19(25)23-22-10-12-9-21-17-5-3-2-4-14(12)17/h2-11,21H,1H3,(H,23,25)/b22-10-.
What are the key properties of 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide?
5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide has a molecular weight of 395.26 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-methylindole-3-carboxamide is sourced from PubChem (CID 155528653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).