N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide

C17H18BrN3O4 — CID 110523669

IUPACN-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)c(Br)c1O
InChIInChI=1S/C17H18BrN3O4/c1-10(2)21-8-4-5-12(17(21)24)16(23)20-19-9-11-6-7-13(25-3)15(22)14(11)18/h4-10,22H,1-3H3,(H,20,23)/b19-9-
InChIKeyJUPNWVMDHLWUGL-OCKHKDLRSA-N
MW408.25 g/mol
LogP2.67
Rot. Bonds5

About N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide

N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 110523669) has the molecular formula C17H18BrN3O4 and a molecular weight of 408.25 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID110523669
Molecular FormulaC17H18BrN3O4
Molecular Weight408.25 g/mol
Exact Mass407.05
IUPAC NameN-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)c(Br)c1O
InChIInChI=1S/C17H18BrN3O4/c1-10(2)21-8-4-5-12(17(21)24)16(23)20-19-9-11-6-7-13(25-3)15(22)14(11)18/h4-10,22H,1-3H3,(H,20,23)/b19-9-
InChIKeyJUPNWVMDHLWUGL-OCKHKDLRSA-N
XLogP2.67
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-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

Related Compounds

N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523765
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523654
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523827
N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523689
2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523793
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523657
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523448
[4-[(Z)-[(2-oxo-1-propan-2-ylpyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 110523760
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523641
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523727
N-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 136874449
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 136874460

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 110523669) is N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide is COc1ccc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)c(Br)c1O.
What is the InChIKey of N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is JUPNWVMDHLWUGL-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H18BrN3O4/c1-10(2)21-8-4-5-12(17(21)24)16(23)20-19-9-11-6-7-13(25-3)15(22)14(11)18/h4-10,22H,1-3H3,(H,20,23)/b19-9-.
What are the key properties of N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 408.25 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 110523669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).