N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide

C17H21N3O2S — CID 16671434

IUPACN-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide
SMILESCC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CCC1
InChIInChI=1S/C17H21N3O2S/c1-2-13(18-17(22)12-5-3-6-12)11-20-16(21)9-8-14(19-20)15-7-4-10-23-15/h4,7-10,12-13H,2-3,5-6,11H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyUEPSWYXNJXQKLG-CYBMUJFWSA-N
MW331.44 g/mol
LogP2.67
Rot. Bonds6

About N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide

N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide (PubChem CID 16671434) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide
PubChem CID16671434
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide
SMILESCC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CCC1
InChIInChI=1S/C17H21N3O2S/c1-2-13(18-17(22)12-5-3-6-12)11-20-16(21)9-8-14(19-20)15-7-4-10-23-15/h4,7-10,12-13H,2-3,5-6,11H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyUEPSWYXNJXQKLG-CYBMUJFWSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide (CID 16671434) is N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide is CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CCC1.
What is the InChIKey of N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide?
The InChIKey is UEPSWYXNJXQKLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-13(18-17(22)12-5-3-6-12)11-20-16(21)9-8-14(19-20)15-7-4-10-23-15/h4,7-10,12-13H,2-3,5-6,11H2,1H3,(H,18,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide?
N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 16671434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).