1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide

C17H15N4O2S+ — CID 22992348

IUPAC1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide
SMILESO=C(NNc1ccccn1)c1ccc[n+](CC(=O)c2cccs2)c1
InChIInChI=1S/C17H14N4O2S/c22-14(15-6-4-10-24-15)12-21-9-3-5-13(11-21)17(23)20-19-16-7-1-2-8-18-16/h1-11H,12H2,(H-,18,19,20,23)/p+1
InChIKeyLCKCWRWDKBTXFU-UHFFFAOYSA-O
MW339.40 g/mol
LogP2.07
Rot. Bonds6

About 1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide

1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide (PubChem CID 22992348) has the molecular formula C17H15N4O2S+ and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide.

Molecular Properties

Compound Name1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide
PubChem CID22992348
Molecular FormulaC17H15N4O2S+
Molecular Weight339.40 g/mol
Exact Mass339.09
IUPAC Name1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide
SMILESO=C(NNc1ccccn1)c1ccc[n+](CC(=O)c2cccs2)c1
InChIInChI=1S/C17H14N4O2S/c22-14(15-6-4-10-24-15)12-21-9-3-5-13(11-21)17(23)20-19-16-7-1-2-8-18-16/h1-11H,12H2,(H-,18,19,20,23)/p+1
InChIKeyLCKCWRWDKBTXFU-UHFFFAOYSA-O
XLogP2.07
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-oxo-2-thiophen-2-ylethyl)-N'-phenylpyridin-1-ium-3-carbohydrazide
CID 10136774
[2-[1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbonyl]hydrazinyl] propanoate
CID 10273197
1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carboxamide bromide
CID 2858941
2-[3-(3-benzyl-1-pyridin-2-ylpyrazol-5-yl)pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone bromide
CID 10118680
N'-pyridin-2-ylpyridine-3-carbohydrazide
CID 69416476
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
2-[3-(2-oxo-2-thiophen-2-ylethyl)imidazol-3-ium-1-yl]-1-phenylethanone bromide
CID 87925530
N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide
CID 175943084
2-(4-benzylpyridin-1-ium-1-yl)-1-thiophen-2-ylethanone bromide
CID 12012698
5-bromo-N-(2-methoxyethyl)-1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carboxamide chloride
CID 10273597
1-phenyl-2-(1,3-thiazol-3-ium-3-yl)ethanone;pyridine;bromide
CID 87377730
2-(2-pyridin-2-ylphenyl)-1-thiophen-2-ylethanone
CID 151487263

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide?
The IUPAC name of 1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide (CID 22992348) is 1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide.
What is the SMILES notation for 1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide?
The canonical SMILES for 1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide is O=C(NNc1ccccn1)c1ccc[n+](CC(=O)c2cccs2)c1.
What is the InChIKey of 1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide?
The InChIKey is LCKCWRWDKBTXFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H14N4O2S/c22-14(15-6-4-10-24-15)12-21-9-3-5-13(11-21)17(23)20-19-16-7-1-2-8-18-16/h1-11H,12H2,(H-,18,19,20,23)/p+1.
What are the key properties of 1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide?
1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide has a molecular weight of 339.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-thiophen-2-ylethyl)-N'-pyridin-2-ylpyridin-1-ium-3-carbohydrazide is sourced from PubChem (CID 22992348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).