5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide

C11H15BrN4O3S — CID 62237432

IUPAC5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H15BrN4O3S/c12-7-5-9(10(16-13)14-6-7)11(17)15-8-1-3-20(18,19)4-2-8/h5-6,8H,1-4,13H2,(H,14,16)(H,15,17)
InChIKeyRLFAYZIMGGJRBU-UHFFFAOYSA-N
MW363.24 g/mol
LogP0.44
Rot. Bonds3

About 5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide

5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide (PubChem CID 62237432) has the molecular formula C11H15BrN4O3S and a molecular weight of 363.24 g/mol. Its IUPAC name is 5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide
PubChem CID62237432
Molecular FormulaC11H15BrN4O3S
Molecular Weight363.24 g/mol
Exact Mass362.00
IUPAC Name5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H15BrN4O3S/c12-7-5-9(10(16-13)14-6-7)11(17)15-8-1-3-20(18,19)4-2-8/h5-6,8H,1-4,13H2,(H,14,16)(H,15,17)
InChIKeyRLFAYZIMGGJRBU-UHFFFAOYSA-N
XLogP0.44
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62186912
5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235486
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 107854915
5-bromo-2-hydrazinyl-N-(2-methylcyclopentyl)pyridine-3-carboxamide
CID 63279137
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide
CID 114124045
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
5-bromo-2-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide
CID 80732025
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242129
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62406728
5-bromo-2-N-(1,1-dioxothian-4-yl)pyridine-2,3-diamine
CID 61227510
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide (CID 62237432) is 5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide is NNc1ncc(Br)cc1C(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of 5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is RLFAYZIMGGJRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O3S/c12-7-5-9(10(16-13)14-6-7)11(17)15-8-1-3-20(18,19)4-2-8/h5-6,8H,1-4,13H2,(H,14,16)(H,15,17).
What are the key properties of 5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide?
5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 363.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62237432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).