4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide

C14H16N4OS2 — CID 18965737

IUPAC4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide
SMILESNNc1ccc(C(=O)NCCSSc2ccccn2)cc1
InChIInChI=1S/C14H16N4OS2/c15-18-12-6-4-11(5-7-12)14(19)17-9-10-20-21-13-3-1-2-8-16-13/h1-8,18H,9-10,15H2,(H,17,19)
InChIKeyIHHCILVYXOGFBL-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.54
Rot. Bonds7

About 4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide

4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide (PubChem CID 18965737) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide
PubChem CID18965737
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC Name4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide
SMILESNNc1ccc(C(=O)NCCSSc2ccccn2)cc1
InChIInChI=1S/C14H16N4OS2/c15-18-12-6-4-11(5-7-12)14(19)17-9-10-20-21-13-3-1-2-8-16-13/h1-8,18H,9-10,15H2,(H,17,19)
InChIKeyIHHCILVYXOGFBL-UHFFFAOYSA-N
XLogP2.54
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine
CID 89137900
3-(pyridin-2-yldisulfanyl)-N-[5-[3-(pyridin-2-yldisulfanyl)propanoylamino]pentyl]propanamide
CID 131993683
N-(4-pyridin-2-ylsulfanylbutyl)benzamide
CID 67642549
4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
CID 22070190
N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 143766978
4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide
CID 158671854
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[2-(pyridin-2-yldisulfanyl)ethylamino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 118988570
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(pyridin-2-yldisulfanyl)ethyl]propanamide
CID 118072306
N-[4-oxo-4-[2-(pyridin-2-yldisulfanyl)ethylamino]butyl]-2-(2,3,4-trihydroxybutyl)quinoxaline-6-carboxamide
CID 20686598
2-[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethylamino]ethoxy]ethyl 2-hydroxypropanoate
CID 163297013
3-(pyridin-2-yldisulfanyl)-N-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethyl]propanamide
CID 156598931
4-(2-carboxyethyl)-4-[3-(pyridin-2-yldisulfanyl)propanoylamino]heptanedioic acid
CID 58402443

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide?
The IUPAC name of 4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide (CID 18965737) is 4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide.
What is the SMILES notation for 4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide?
The canonical SMILES for 4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide is NNc1ccc(C(=O)NCCSSc2ccccn2)cc1.
What is the InChIKey of 4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide?
The InChIKey is IHHCILVYXOGFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c15-18-12-6-4-11(5-7-12)14(19)17-9-10-20-21-13-3-1-2-8-16-13/h1-8,18H,9-10,15H2,(H,17,19).
What are the key properties of 4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide?
4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide has a molecular weight of 320.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide is sourced from PubChem (CID 18965737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).