N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide

C14H12BrN3O2 — CID 135533022

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cn1
InChIInChI=1S/C14H12BrN3O2/c1-9-2-3-10(7-16-9)14(20)18-17-8-11-6-12(15)4-5-13(11)19/h2-8,19H,1H3,(H,18,20)/b17-8+
InChIKeyBXRMBOLPJUXGLR-CAOOACKPSA-N
MW334.17 g/mol
LogP2.62
Rot. Bonds3

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 135533022) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID135533022
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cn1
InChIInChI=1S/C14H12BrN3O2/c1-9-2-3-10(7-16-9)14(20)18-17-8-11-6-12(15)4-5-13(11)19/h2-8,19H,1H3,(H,18,20)/b17-8+
InChIKeyBXRMBOLPJUXGLR-CAOOACKPSA-N
XLogP2.62
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-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 N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 135533022) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cn1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is BXRMBOLPJUXGLR-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-9-2-3-10(7-16-9)14(20)18-17-8-11-6-12(15)4-5-13(11)19/h2-8,19H,1H3,(H,18,20)/b17-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 135533022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).