1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide

C17H20N4O3 — CID 121066972

IUPAC1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1=O
InChIInChI=1S/C17H20N4O3/c1-2-21-16(22)8-7-15(19-21)17(23)18-13-3-5-14(6-4-13)20-9-11-24-12-10-20/h3-8H,2,9-12H2,1H3,(H,18,23)
InChIKeyDCTVJLLGBCHWDV-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.35
Rot. Bonds4

About 1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide

1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 121066972) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID121066972
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1=O
InChIInChI=1S/C17H20N4O3/c1-2-21-16(22)8-7-15(19-21)17(23)18-13-3-5-14(6-4-13)20-9-11-24-12-10-20/h3-8H,2,9-12H2,1H3,(H,18,23)
InChIKeyDCTVJLLGBCHWDV-UHFFFAOYSA-N
XLogP1.35
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide 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-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55795168
N-butan-2-yl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109181400
2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3275344
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 121051681
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114572
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide
CID 146079163
1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 51157406
2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3261325
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide (CID 121066972) is 1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide is CCn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1=O.
What is the InChIKey of 1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is DCTVJLLGBCHWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-2-21-16(22)8-7-15(19-21)17(23)18-13-3-5-14(6-4-13)20-9-11-24-12-10-20/h3-8H,2,9-12H2,1H3,(H,18,23).
What are the key properties of 1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide?
1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 121066972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).