1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide

C14H17N3O2S — CID 82516663

IUPAC1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
SMILESCCC(C)n1c(-c2cccs2)ccc(C(=O)NN)c1=O
InChIInChI=1S/C14H17N3O2S/c1-3-9(2)17-11(12-5-4-8-20-12)7-6-10(14(17)19)13(18)16-15/h4-9H,3,15H2,1-2H3,(H,16,18)
InChIKeyZLIJDRDJJWALTK-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.15
Rot. Bonds4

About 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide

1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide (PubChem CID 82516663) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
PubChem CID82516663
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
SMILESCCC(C)n1c(-c2cccs2)ccc(C(=O)NN)c1=O
InChIInChI=1S/C14H17N3O2S/c1-3-9(2)17-11(12-5-4-8-20-12)7-6-10(14(17)19)13(18)16-15/h4-9H,3,15H2,1-2H3,(H,16,18)
InChIKeyZLIJDRDJJWALTK-UHFFFAOYSA-N
XLogP2.15
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82516687
1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
CID 82516554
2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid
CID 82146644
3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one
CID 82516774
3-(2-aminopropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyridin-2-one
CID 82516804
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride
CID 82519475
1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82099867
7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 19620217
3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one
CID 82516740
3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
CID 82516662
3-amino-1-methyl-6-thiophen-2-ylpyridin-2-one
CID 82467248
2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide
CID 82524202

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide?
The IUPAC name of 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide (CID 82516663) is 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide.
What is the SMILES notation for 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide?
The canonical SMILES for 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide is CCC(C)n1c(-c2cccs2)ccc(C(=O)NN)c1=O.
What is the InChIKey of 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide?
The InChIKey is ZLIJDRDJJWALTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-9(2)17-11(12-5-4-8-20-12)7-6-10(14(17)19)13(18)16-15/h4-9H,3,15H2,1-2H3,(H,16,18).
What are the key properties of 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide?
1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide has a molecular weight of 291.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide is sourced from PubChem (CID 82516663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).