5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide

C11H9BrN4O — CID 135550919

IUPAC5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc[nH]1)c1cncc(Br)c1
InChIInChI=1S/C11H9BrN4O/c12-9-4-8(5-13-6-9)11(17)16-15-7-10-2-1-3-14-10/h1-7,14H,(H,16,17)/b15-7-
InChIKeyLHGHAYQGJFVVFI-CHHVJCJISA-N
MW293.12 g/mol
LogP1.94
Rot. Bonds3

About 5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide

5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide (PubChem CID 135550919) has the molecular formula C11H9BrN4O and a molecular weight of 293.12 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide
PubChem CID135550919
Molecular FormulaC11H9BrN4O
Molecular Weight293.12 g/mol
Exact Mass292.00
IUPAC Name5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc[nH]1)c1cncc(Br)c1
InChIInChI=1S/C11H9BrN4O/c12-9-4-8(5-13-6-9)11(17)16-15-7-10-2-1-3-14-10/h1-7,14H,(H,16,17)/b15-7-
InChIKeyLHGHAYQGJFVVFI-CHHVJCJISA-N
XLogP1.94
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 51.94
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'}

Analyze 5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-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-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide (CID 135550919) is 5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1ccc[nH]1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide?
The InChIKey is LHGHAYQGJFVVFI-CHHVJCJISA-N. The full InChI is InChI=1S/C11H9BrN4O/c12-9-4-8(5-13-6-9)11(17)16-15-7-10-2-1-3-14-10/h1-7,14H,(H,16,17)/b15-7-.
What are the key properties of 5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide has a molecular weight of 293.12 g/mol, XLogP of 1.94, 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-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135550919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).