N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

C16H24N4O3 — CID 122279873

IUPACN-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)NCCN1CCOCC1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C16H24N4O3/c1-12(16(22)17-5-6-19-7-9-23-10-8-19)20-15(21)11-13-3-2-4-14(13)18-20/h11-12H,2-10H2,1H3,(H,17,22)
InChIKeyXSTGWKADNYISJG-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.26
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122279873) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
PubChem CID122279873
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)NCCN1CCOCC1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C16H24N4O3/c1-12(16(22)17-5-6-19-7-9-23-10-8-19)20-15(21)11-13-3-2-4-14(13)18-20/h11-12H,2-10H2,1H3,(H,17,22)
InChIKeyXSTGWKADNYISJG-UHFFFAOYSA-N
XLogP-0.26
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122279873) is N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is CC(C(=O)NCCN1CCOCC1)n1nc2c(cc1=O)CCC2.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The InChIKey is XSTGWKADNYISJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12(16(22)17-5-6-19-7-9-23-10-8-19)20-15(21)11-13-3-2-4-14(13)18-20/h11-12H,2-10H2,1H3,(H,17,22).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 320.39 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122279873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).