2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide

C14H20N4O2S — CID 45222982

IUPAC2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)NC1CCSC1
InChIInChI=1S/C14H20N4O2S/c19-13(16-11-3-6-21-10-11)9-18-14(20)7-12(8-15-18)17-4-1-2-5-17/h7-8,11H,1-6,9-10H2,(H,16,19)
InChIKeyOLCPKEKGPBSPNG-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.47
Rot. Bonds4

About 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide

2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide (PubChem CID 45222982) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide
PubChem CID45222982
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)NC1CCSC1
InChIInChI=1S/C14H20N4O2S/c19-13(16-11-3-6-21-10-11)9-18-14(20)7-12(8-15-18)17-4-1-2-5-17/h7-8,11H,1-6,9-10H2,(H,16,19)
InChIKeyOLCPKEKGPBSPNG-UHFFFAOYSA-N
XLogP0.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide
CID 45211558
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 28223805
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 28223808
N-(1,1-dioxido-2,3-dihydro-3-thienyl)-2-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]acetamide
CID 45218426
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(propylthio)acetamide
CID 70714510
N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1(6H)-yl)-N-(tetrahydro-2H-thiopyran-4-yl)acetamide
CID 72873923
2-(2-oxo-2-thiomorpholin-4-ylethyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72906340
N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 96367928
N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 96367929
2-(2-Oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219486
5-(2-Aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 103221171
5-(2-Aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 103221311

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide (CID 45222982) is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide is O=C(Cn1ncc(N2CCCC2)cc1=O)NC1CCSC1.
What is the InChIKey of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide?
The InChIKey is OLCPKEKGPBSPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-13(16-11-3-6-21-10-11)9-18-14(20)7-12(8-15-18)17-4-1-2-5-17/h7-8,11H,1-6,9-10H2,(H,16,19).
What are the key properties of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide?
2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide has a molecular weight of 308.41 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 45222982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).