5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide

C13H19BrN4OS — CID 114124045

IUPAC5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide
SMILESCCSC1CCC(NC(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C13H19BrN4OS/c1-2-20-10-4-3-9(6-10)17-13(19)11-5-8(14)7-16-12(11)18-15/h5,7,9-10H,2-4,6,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyMRSGHNKQXYBAIM-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.53
Rot. Bonds5

About 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide

5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide (PubChem CID 114124045) has the molecular formula C13H19BrN4OS and a molecular weight of 359.29 g/mol. Its IUPAC name is 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide
PubChem CID114124045
Molecular FormulaC13H19BrN4OS
Molecular Weight359.29 g/mol
Exact Mass358.05
IUPAC Name5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide
SMILESCCSC1CCC(NC(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C13H19BrN4OS/c1-2-20-10-4-3-9(6-10)17-13(19)11-5-8(14)7-16-12(11)18-15/h5,7,9-10H,2-4,6,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyMRSGHNKQXYBAIM-UHFFFAOYSA-N
XLogP2.53
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709559
5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide
CID 62237432
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
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-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide
CID 104589681
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine
CID 103704828
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 106544630
5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 103714417
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
CID 119945966

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide (CID 114124045) is 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide is CCSC1CCC(NC(=O)c2cc(Br)cnc2NN)C1.
What is the InChIKey of 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is MRSGHNKQXYBAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4OS/c1-2-20-10-4-3-9(6-10)17-13(19)11-5-8(14)7-16-12(11)18-15/h5,7,9-10H,2-4,6,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide?
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 359.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 114124045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).