1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide

C15H19N3O3S — CID 111441768

IUPAC1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCC(O)c2ccsc2)ccc1=O
InChIInChI=1S/C15H19N3O3S/c1-2-3-7-18-14(20)5-4-12(17-18)15(21)16-9-13(19)11-6-8-22-10-11/h4-6,8,10,13,19H,2-3,7,9H2,1H3,(H,16,21)
InChIKeyUOJIBMOQEUNKKQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.57
Rot. Bonds7

About 1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 111441768) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide
PubChem CID111441768
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCC(O)c2ccsc2)ccc1=O
InChIInChI=1S/C15H19N3O3S/c1-2-3-7-18-14(20)5-4-12(17-18)15(21)16-9-13(19)11-6-8-22-10-11/h4-6,8,10,13,19H,2-3,7,9H2,1H3,(H,16,21)
InChIKeyUOJIBMOQEUNKKQ-UHFFFAOYSA-N
XLogP1.57
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 111471904
4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832412
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 42161969
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 32958719
N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103771085
methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096
1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide
CID 103862339

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide (CID 111441768) is 1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCC(O)c2ccsc2)ccc1=O.
What is the InChIKey of 1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is UOJIBMOQEUNKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-3-7-18-14(20)5-4-12(17-18)15(21)16-9-13(19)11-6-8-22-10-11/h4-6,8,10,13,19H,2-3,7,9H2,1H3,(H,16,21).
What are the key properties of 1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 111441768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).