N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide

C20H28N4O3 — CID 24789938

IUPACN-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
SMILESO=C(CCN1N=C(c2ccccc2)CCC1=O)NCCCN1CCOCC1
InChIInChI=1S/C20H28N4O3/c25-19(21-10-4-11-23-13-15-27-16-14-23)9-12-24-20(26)8-7-18(22-24)17-5-2-1-3-6-17/h1-3,5-6H,4,7-16H2,(H,21,25)
InChIKeyXEFSOZUNFJVMFK-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.24
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide

N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide (PubChem CID 24789938) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
PubChem CID24789938
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
SMILESO=C(CCN1N=C(c2ccccc2)CCC1=O)NCCCN1CCOCC1
InChIInChI=1S/C20H28N4O3/c25-19(21-10-4-11-23-13-15-27-16-14-23)9-12-24-20(26)8-7-18(22-24)17-5-2-1-3-6-17/h1-3,5-6H,4,7-16H2,(H,21,25)
InChIKeyXEFSOZUNFJVMFK-UHFFFAOYSA-N
XLogP1.24
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.24
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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Related Compounds

N-(3-morpholin-4-ylpropyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 4060999
N-cyclopentyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624453
N-butyl-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 15992445
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3242957
N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]propanamide
CID 12005450
N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 15993418
N-(3-methoxypropyl)-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 16001575
N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 24761518
N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide
CID 2906693
3(2H)-Pyridazinone, 4,5-dihydro-4-methyl-2-(2-morpholinoethyl)-6-phenyl-, hydrochloride
CID 208811
N-[2-(dimethylamino)ethyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide
CID 15994478
3-[3-(4-Methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[3-(morpholin-4-YL)propyl]propanamide
CID 16001611

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide (CID 24789938) is N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide is O=C(CCN1N=C(c2ccccc2)CCC1=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
The InChIKey is XEFSOZUNFJVMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-19(21-10-4-11-23-13-15-27-16-14-23)9-12-24-20(26)8-7-18(22-24)17-5-2-1-3-6-17/h1-3,5-6H,4,7-16H2,(H,21,25).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide is sourced from PubChem (CID 24789938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).