N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

C13H19N3O3 — CID 122279868

IUPACN-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCOCCNC(=O)C(C)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C13H19N3O3/c1-9(13(18)14-6-7-19-2)16-12(17)8-10-4-3-5-11(10)15-16/h8-9H,3-7H2,1-2H3,(H,14,18)
InChIKeyAESHBUWKSBXSTN-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.06
Rot. Bonds5

About N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122279868) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
PubChem CID122279868
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCOCCNC(=O)C(C)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C13H19N3O3/c1-9(13(18)14-6-7-19-2)16-12(17)8-10-4-3-5-11(10)15-16/h8-9H,3-7H2,1-2H3,(H,14,18)
InChIKeyAESHBUWKSBXSTN-UHFFFAOYSA-N
XLogP0.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122279868) is N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is COCCNC(=O)C(C)n1nc2c(cc1=O)CCC2.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The InChIKey is AESHBUWKSBXSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(13(18)14-6-7-19-2)16-12(17)8-10-4-3-5-11(10)15-16/h8-9H,3-7H2,1-2H3,(H,14,18).
What are the key properties of N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122279868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).