N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide

C13H12Br2N4O — CID 81256030

IUPACN-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cnccc2NN)c(Br)c1
InChIInChI=1S/C13H12Br2N4O/c1-7-4-9(14)12(10(15)5-7)18-13(20)8-6-17-3-2-11(8)19-16/h2-6H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyRBPWNWBMJSINNB-UHFFFAOYSA-N
MW400.07 g/mol
LogP3.45
Rot. Bonds3

About N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide

N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide (PubChem CID 81256030) has the molecular formula C13H12Br2N4O and a molecular weight of 400.07 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide
PubChem CID81256030
Molecular FormulaC13H12Br2N4O
Molecular Weight400.07 g/mol
Exact Mass397.94
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cnccc2NN)c(Br)c1
InChIInChI=1S/C13H12Br2N4O/c1-7-4-9(14)12(10(15)5-7)18-13(20)8-6-17-3-2-11(8)19-16/h2-6H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyRBPWNWBMJSINNB-UHFFFAOYSA-N
XLogP3.45
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 53.45
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-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255971
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
N-(2,6-dibromophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 107603475
N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063604
N-(2,6-dibromo-4-methylphenyl)-2-(methylamino)benzamide
CID 61377648
N-(2,4-difluorophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255920
2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
CID 114036150
N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377960
4-hydrazinyl-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 81255713
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245636
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide (CID 81256030) is N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide is Cc1cc(Br)c(NC(=O)c2cnccc2NN)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide?
The InChIKey is RBPWNWBMJSINNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N4O/c1-7-4-9(14)12(10(15)5-7)18-13(20)8-6-17-3-2-11(8)19-16/h2-6H,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide?
N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide has a molecular weight of 400.07 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 81256030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).