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

C15H24N4O3 — CID 70744808

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H24N4O3/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)
InChIKeyDGPDOKKPUWOCTK-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.15
Rot. Bonds7

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

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide (PubChem CID 70744808) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide
PubChem CID70744808
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H24N4O3/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)
InChIKeyDGPDOKKPUWOCTK-UHFFFAOYSA-N
XLogP0.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(4-morpholinyl)acetamide
CID 70715217
N-(1-ethylpropyl)-1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-3-pyrrolidinecarboxamide
CID 91920247
N-isobutyl-1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-3-pyrrolidinecarboxamide
CID 91920254
2-Ethoxy-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924030
2-Ethoxy-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924055
2-hydroxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70731807
N~3~-acetyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-beta-alaninamide
CID 70711027
2,2-Dimethylpropyl {[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}carbamate
CID 70714926
5-methoxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-4-oxo-4H-pyran-2-carboxamide
CID 70718707
2-ethoxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}acetamide
CID 70723002
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(4-morpholinyl)propanamide
CID 70728730
2-(2-methoxyethoxy)-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70759703

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide (CID 70744808) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide is CCCOCC(=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-propoxyacetamide?
The InChIKey is DGPDOKKPUWOCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/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-propoxyacetamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide has a molecular weight of 308.38 g/mol, XLogP of 0.15, 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-propoxyacetamide is sourced from PubChem (CID 70744808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).