N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C21H22N4O3 — CID 3929572

IUPACN-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C21H22N4O3/c26-20-11-10-19(23-25(20)18-4-2-1-3-5-18)21(27)22-16-6-8-17(9-7-16)24-12-14-28-15-13-24/h1-9H,10-15H2,(H,22,27)
InChIKeyDOGZONCEMWTQSY-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.64
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 3929572) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID3929572
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C21H22N4O3/c26-20-11-10-19(23-25(20)18-4-2-1-3-5-18)21(27)22-16-6-8-17(9-7-16)24-12-14-28-15-13-24/h1-9H,10-15H2,(H,22,27)
InChIKeyDOGZONCEMWTQSY-UHFFFAOYSA-N
XLogP2.64
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 3929572) is N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is DOGZONCEMWTQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20-11-10-19(23-25(20)18-4-2-1-3-5-18)21(27)22-16-6-8-17(9-7-16)24-12-14-28-15-13-24/h1-9H,10-15H2,(H,22,27).
What are the key properties of N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 3929572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).