N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide

C13H13BrN4O — CID 62236877

IUPACN-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2NN)ccc1Br
InChIInChI=1S/C13H13BrN4O/c1-8-7-9(4-5-11(8)14)17-13(19)10-3-2-6-16-12(10)18-15/h2-7H,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyDITSQEGLUPFJIS-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.69
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide

N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide (PubChem CID 62236877) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide
PubChem CID62236877
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC NameN-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2NN)ccc1Br
InChIInChI=1S/C13H13BrN4O/c1-8-7-9(4-5-11(8)14)17-13(19)10-3-2-6-16-12(10)18-15/h2-7H,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyDITSQEGLUPFJIS-UHFFFAOYSA-N
XLogP2.69
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-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-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
CID 107358538
N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N-(3,4-dimethylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173357
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 82858745
N-(4-bromo-3-methylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
CID 18284821
2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384093
N-(2-bromo-4-chlorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 81274967
N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729
2-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62249141
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide (CID 62236877) is N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2NN)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is DITSQEGLUPFJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-7-9(4-5-11(8)14)17-13(19)10-3-2-6-16-12(10)18-15/h2-7H,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62236877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).