5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide

C9H13BrN4O — CID 83022924

IUPAC5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
SMILESCNc1ncc(Br)cc1C(=O)NN(C)C
InChIInChI=1S/C9H13BrN4O/c1-11-8-7(4-6(10)5-12-8)9(15)13-14(2)3/h4-5H,1-3H3,(H,11,12)(H,13,15)
InChIKeyKPAFBIZYIPNORK-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.09
Rot. Bonds3

About 5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide

5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide (PubChem CID 83022924) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
PubChem CID83022924
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
SMILESCNc1ncc(Br)cc1C(=O)NN(C)C
InChIInChI=1S/C9H13BrN4O/c1-11-8-7(4-6(10)5-12-8)9(15)13-14(2)3/h4-5H,1-3H3,(H,11,12)(H,13,15)
InChIKeyKPAFBIZYIPNORK-UHFFFAOYSA-N
XLogP1.09
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
CID 62172702
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
CID 116788035
5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 55046150
5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 62174416
5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 55047297
5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
CID 62168980
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 65499656
5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62170659
5-bromo-N-methyl-2-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62169583
5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62166425
5-bromo-N-(4-bromo-2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167546
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide?
The IUPAC name of 5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide (CID 83022924) is 5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide.
What is the SMILES notation for 5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide?
The canonical SMILES for 5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide is CNc1ncc(Br)cc1C(=O)NN(C)C.
What is the InChIKey of 5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide?
The InChIKey is KPAFBIZYIPNORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c1-11-8-7(4-6(10)5-12-8)9(15)13-14(2)3/h4-5H,1-3H3,(H,11,12)(H,13,15).
What are the key properties of 5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide?
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide has a molecular weight of 273.13 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide is sourced from PubChem (CID 83022924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).