N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide

C15H24N4O2S — CID 70714510

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H24N4O2S/c1-3-6-22-11-14(20)16-8-12-4-5-19(10-12)13-7-15(21)18(2)17-9-13/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,16,20)
InChIKeyBQTPTIVKFRJAPR-UHFFFAOYSA-N
MW324.45 g/mol
LogP0.87
Rot. Bonds7

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide (PubChem CID 70714510) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
PubChem CID70714510
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H24N4O2S/c1-3-6-22-11-14(20)16-8-12-4-5-19(10-12)13-7-15(21)18(2)17-9-13/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,16,20)
InChIKeyBQTPTIVKFRJAPR-UHFFFAOYSA-N
XLogP0.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-{3-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-1-yl}-2-methylpyridazin-3(2H)-one
CID 45174260
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide
CID 45211558
5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[2-(ethylthio)ethyl]pyridazin-3(2H)-one
CID 45220667
5-[(3S)-3-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 30869331
5-[(3R)-3-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 30869335
2-methyl-5-[4-[[[(3R)-thiolan-3-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 31161606
2-methyl-5-[4-[[[(3S)-thiolan-3-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 31161610
2-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]-N-(tetrahydro-3-thienyl)acetamide
CID 45222982
2-methyl-5-{4-[(tetrahydro-3-thienylamino)methyl]piperidin-1-yl}pyridazin-3(2H)-one
CID 45239866
3-[4-[3-(aminomethyl)-1-pyrrolidinyl]-6-oxo-1(6H)-pyridazinyl]-N-isopropylpropanamide
CID 56892430
N~3~-acetyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-beta-alaninamide
CID 70711027
2,2-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}propanamide
CID 70771419

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide (CID 70714510) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide is CCCSCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide?
The InChIKey is BQTPTIVKFRJAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-6-22-11-14(20)16-8-12-4-5-19(10-12)13-7-15(21)18(2)17-9-13/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,16,20).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide has a molecular weight of 324.45 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide is sourced from PubChem (CID 70714510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).