2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide

C15H15N3O3S — CID 9077978

IUPAC2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide
SMILESO=C(CSc1ccccc1)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C15H15N3O3S/c19-13(10-18-9-5-4-8-15(18)21)16-17-14(20)11-22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,19)(H,17,20)
InChIKeyMVTBMTDBGIEYCR-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.79
Rot. Bonds5

About 2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide

2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide (PubChem CID 9077978) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide
PubChem CID9077978
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide
SMILESO=C(CSc1ccccc1)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C15H15N3O3S/c19-13(10-18-9-5-4-8-15(18)21)16-17-14(20)11-22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,19)(H,17,20)
InChIKeyMVTBMTDBGIEYCR-UHFFFAOYSA-N
XLogP0.79
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 9077874
3-(4-fluorophenyl)sulfanyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]propanehydrazide
CID 9078072
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 9078331
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetohydrazide
CID 9091315
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide
CID 9157009
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 24641274
N'-[2-(4-methylphenyl)sulfanylacetyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide
CID 30498063
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175120
N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-phenylsulfanylacetamide
CID 121585878
N-(2-oxo-1H-pyridin-3-yl)-2-phenylsulfanylacetamide
CID 8437826
2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]-N-propan-2-ylacetamide
CID 8532227
N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide
CID 8532518

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide?
The IUPAC name of 2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide (CID 9077978) is 2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide is O=C(CSc1ccccc1)NNC(=O)Cn1ccccc1=O.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide?
The InChIKey is MVTBMTDBGIEYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-13(10-18-9-5-4-8-15(18)21)16-17-14(20)11-22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,19)(H,17,20).
What are the key properties of 2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide?
2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide has a molecular weight of 317.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide is sourced from PubChem (CID 9077978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).