N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C17H15BrN4O2 — CID 135734608

IUPACN-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESC/C(=N\NC(=O)c1c(C)nc2ccccn12)c1cc(Br)ccc1O
InChIInChI=1S/C17H15BrN4O2/c1-10(13-9-12(18)6-7-14(13)23)20-21-17(24)16-11(2)19-15-5-3-4-8-22(15)16/h3-9,23H,1-2H3,(H,21,24)/b20-10+
InChIKeyQIQIQZWGGMJBKA-KEBDBYFISA-N
MW387.24 g/mol
LogP3.26
Rot. Bonds3

About N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 135734608) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID135734608
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC NameN-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESC/C(=N\NC(=O)c1c(C)nc2ccccn12)c1cc(Br)ccc1O
InChIInChI=1S/C17H15BrN4O2/c1-10(13-9-12(18)6-7-14(13)23)20-21-17(24)16-11(2)19-15-5-3-4-8-22(15)16/h3-9,23H,1-2H3,(H,21,24)/b20-10+
InChIKeyQIQIQZWGGMJBKA-KEBDBYFISA-N
XLogP3.26
TPSA78.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(E)-1-phenylethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 6112087
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6253210
N-[1-(furan-2-yl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 4106490
N-[1-(3-acetamidophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 3485132
N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 3663638
1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135557700
4-amino-N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135622325
N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 4294253
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 137037552

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 135734608) is N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QIQIQZWGGMJBKA-KEBDBYFISA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-10(13-9-12(18)6-7-14(13)23)20-21-17(24)16-11(2)19-15-5-3-4-8-22(15)16/h3-9,23H,1-2H3,(H,21,24)/b20-10+.
What are the key properties of N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 387.24 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 135734608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).