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

C14H15BrN4O — CID 83171125

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ncc(Br)cc2C)ccc1NN
InChIInChI=1S/C14H15BrN4O/c1-8-5-10(3-4-12(8)19-16)14(20)18-13-9(2)6-11(15)7-17-13/h3-7,19H,16H2,1-2H3,(H,17,18,20)
InChIKeyXAIKWGPTEVEJJG-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.00
Rot. Bonds3

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

N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide (PubChem CID 83171125) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
PubChem CID83171125
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ncc(Br)cc2C)ccc1NN
InChIInChI=1S/C14H15BrN4O/c1-8-5-10(3-4-12(8)19-16)14(20)18-13-9(2)6-11(15)7-17-13/h3-7,19H,16H2,1-2H3,(H,17,18,20)
InChIKeyXAIKWGPTEVEJJG-UHFFFAOYSA-N
XLogP3.00
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.00
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-hydrazinyl-3-methylbenzamide
CID 63212020
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
2-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 83167261
N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide
CID 81489117
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 83170176
4-hydrazinyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63211746
N-(2-bromo-4-chlorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 81275140
N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83165588
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
4-hydrazinyl-3-methyl-N-pyridin-3-ylbenzamide
CID 63212144
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydroxybenzamide
CID 113266660
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 83167163

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide (CID 83171125) is N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide is Cc1cc(C(=O)Nc2ncc(Br)cc2C)ccc1NN.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide?
The InChIKey is XAIKWGPTEVEJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-8-5-10(3-4-12(8)19-16)14(20)18-13-9(2)6-11(15)7-17-13/h3-7,19H,16H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide?
N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide has a molecular weight of 335.21 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 83171125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).