N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide

C16H24N4O2S — CID 72873923

IUPACN-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide
SMILESCN(C(=O)Cn1ncc(N2CCCC2)cc1=O)C1CCSCC1
InChIInChI=1S/C16H24N4O2S/c1-18(13-4-8-23-9-5-13)16(22)12-20-15(21)10-14(11-17-20)19-6-2-3-7-19/h10-11,13H,2-9,12H2,1H3
InChIKeyZHWZXXLRVDLEFZ-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.20
Rot. Bonds4

About N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide

N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide (PubChem CID 72873923) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide
PubChem CID72873923
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide
SMILESCN(C(=O)Cn1ncc(N2CCCC2)cc1=O)C1CCSCC1
InChIInChI=1S/C16H24N4O2S/c1-18(13-4-8-23-9-5-13)16(22)12-20-15(21)10-14(11-17-20)19-6-2-3-7-19/h10-11,13H,2-9,12H2,1H3
InChIKeyZHWZXXLRVDLEFZ-UHFFFAOYSA-N
XLogP1.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide?
The IUPAC name of N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide (CID 72873923) is N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide.
What is the SMILES notation for N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide?
The canonical SMILES for N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide is CN(C(=O)Cn1ncc(N2CCCC2)cc1=O)C1CCSCC1.
What is the InChIKey of N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide?
The InChIKey is ZHWZXXLRVDLEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-18(13-4-8-23-9-5-13)16(22)12-20-15(21)10-14(11-17-20)19-6-2-3-7-19/h10-11,13H,2-9,12H2,1H3.
What are the key properties of N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide?
N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide has a molecular weight of 336.46 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)-N-(thian-4-yl)acetamide is sourced from PubChem (CID 72873923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).