N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide

C17H18BrN3O3 — CID 110523654

IUPACN-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(Br)cc1/C=N\NC(=O)c1cccn(C(C)C)c1=O
InChIInChI=1S/C17H18BrN3O3/c1-11(2)21-8-4-5-14(17(21)23)16(22)20-19-10-12-9-13(18)6-7-15(12)24-3/h4-11H,1-3H3,(H,20,22)/b19-10-
InChIKeyJECGDSRRIIZQFG-GRSHGNNSSA-N
MW392.25 g/mol
LogP2.96
Rot. Bonds5

About N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide

N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 110523654) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID110523654
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC NameN-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(Br)cc1/C=N\NC(=O)c1cccn(C(C)C)c1=O
InChIInChI=1S/C17H18BrN3O3/c1-11(2)21-8-4-5-14(17(21)23)16(22)20-19-10-12-9-13(18)6-7-15(12)24-3/h4-11H,1-3H3,(H,20,22)/b19-10-
InChIKeyJECGDSRRIIZQFG-GRSHGNNSSA-N
XLogP2.96
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-(5-bromo-2-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)-(2,5-dimethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523827
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523448
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523765
N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523669
N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523689
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6009117
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide
CID 6158921
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523471
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
2-bromo-N-[1-[2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3551447

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 110523654) is N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide is COc1ccc(Br)cc1/C=N\NC(=O)c1cccn(C(C)C)c1=O.
What is the InChIKey of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is JECGDSRRIIZQFG-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-11(2)21-8-4-5-14(17(21)23)16(22)20-19-10-12-9-13(18)6-7-15(12)24-3/h4-11H,1-3H3,(H,20,22)/b19-10-.
What are the key properties of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 392.25 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 110523654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).