N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide

C17H20N4O3 — CID 139978344

IUPACN-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)n[nH]c1=O)N1CCOCC1
InChIInChI=1S/C17H20N4O3/c1-12(21-7-9-24-10-8-21)18-16(22)14-11-15(19-20-17(14)23)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,22)(H,20,23)
InChIKeyJECOCJDAWHMQSE-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.84
Rot. Bonds4

About N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide

N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide (PubChem CID 139978344) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide
PubChem CID139978344
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)n[nH]c1=O)N1CCOCC1
InChIInChI=1S/C17H20N4O3/c1-12(21-7-9-24-10-8-21)18-16(22)14-11-15(19-20-17(14)23)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,22)(H,20,23)
InChIKeyJECOCJDAWHMQSE-UHFFFAOYSA-N
XLogP0.84
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide
CID 140505207
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 90994241
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 99804543
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid
CID 82446124
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide
CID 150536547
N-(1-morpholin-4-ylethyl)acetamide
CID 20786322

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide (CID 139978344) is N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide is CC(NC(=O)c1cc(-c2ccccc2)n[nH]c1=O)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide?
The InChIKey is JECOCJDAWHMQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12(21-7-9-24-10-8-21)18-16(22)14-11-15(19-20-17(14)23)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,22)(H,20,23).
What are the key properties of N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide?
N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 139978344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).