1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C23H26N4O3 — CID 4876858

IUPAC1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)Nc3ccc(N4CCOCC4)cc3)CCC2=O)c1
InChIInChI=1S/C23H26N4O3/c1-16-3-4-17(2)21(15-16)27-22(28)10-9-20(25-27)23(29)24-18-5-7-19(8-6-18)26-11-13-30-14-12-26/h3-8,15H,9-14H2,1-2H3,(H,24,29)
InChIKeyZCOAVHPKOZAWSM-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.26
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 4876858) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID4876858
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)Nc3ccc(N4CCOCC4)cc3)CCC2=O)c1
InChIInChI=1S/C23H26N4O3/c1-16-3-4-17(2)21(15-16)27-22(28)10-9-20(25-27)23(29)24-18-5-7-19(8-6-18)26-11-13-30-14-12-26/h3-8,15H,9-14H2,1-2H3,(H,24,29)
InChIKeyZCOAVHPKOZAWSM-UHFFFAOYSA-N
XLogP3.26
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.26
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 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 4876858) is 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(N4CCOCC4)cc3)CCC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ZCOAVHPKOZAWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-3-4-17(2)21(15-16)27-22(28)10-9-20(25-27)23(29)24-18-5-7-19(8-6-18)26-11-13-30-14-12-26/h3-8,15H,9-14H2,1-2H3,(H,24,29).
What are the key properties of 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-(4-morpholin-4-ylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 4876858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).