N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide

C13H13BrN4O — CID 63212020

IUPACN-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cn2)ccc1NN
InChIInChI=1S/C13H13BrN4O/c1-8-6-9(2-4-11(8)18-15)13(19)17-12-5-3-10(14)7-16-12/h2-7,18H,15H2,1H3,(H,16,17,19)
InChIKeyJGJPLMJXCPSJOS-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.69
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide

N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide (PubChem CID 63212020) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
PubChem CID63212020
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC NameN-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cn2)ccc1NN
InChIInChI=1S/C13H13BrN4O/c1-8-6-9(2-4-11(8)18-15)13(19)17-12-5-3-10(14)7-16-12/h2-7,18H,15H2,1H3,(H,16,17,19)
InChIKeyJGJPLMJXCPSJOS-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-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
CID 83171125
N-(5-bromo-2-pyridinyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256857
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
4-amino-N-(5-bromo-2-pyridinyl)-3-hydroxybenzamide
CID 107073952
N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide
CID 60650974
N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55773373
N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186827
4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 113338779
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
4-hydrazinyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63211746
N-(5-bromo-2-pyridinyl)-5-methylthiophene-3-carboxamide
CID 17218099

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide (CID 63212020) is N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(Br)cn2)ccc1NN.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide?
The InChIKey is JGJPLMJXCPSJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-6-9(2-4-11(8)18-15)13(19)17-12-5-3-10(14)7-16-12/h2-7,18H,15H2,1H3,(H,16,17,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide?
N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide 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-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 63212020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).