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

C13H13BrN4O — CID 81255971

IUPACN-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnccc2NN)c(Br)c1
InChIInChI=1S/C13H13BrN4O/c1-8-2-3-12(10(14)6-8)17-13(19)9-7-16-5-4-11(9)18-15/h2-7H,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyKRQCLFQXVWELMD-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.69
Rot. Bonds3

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

N-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide (PubChem CID 81255971) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide
PubChem CID81255971
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC NameN-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnccc2NN)c(Br)c1
InChIInChI=1S/C13H13BrN4O/c1-8-2-3-12(10(14)6-8)17-13(19)9-7-16-5-4-11(9)18-15/h2-7H,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyKRQCLFQXVWELMD-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'}

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256030
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
N-(2,4-difluorophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255920
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176
2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide
CID 114259017
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide
CID 63062252
N-(2-bromo-4-methylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 110704511
N-(2-bromo-5-methylphenyl)-2-hydrazinylbenzamide
CID 82758478
4-hydrazinyl-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 81256164
5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide (CID 81255971) is N-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide is Cc1ccc(NC(=O)c2cnccc2NN)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide?
The InChIKey is KRQCLFQXVWELMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-2-3-12(10(14)6-8)17-13(19)9-7-16-5-4-11(9)18-15/h2-7H,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide?
N-(2-bromo-4-methylphenyl)-4-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-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 81255971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).