2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide

C28H26N4O3 — CID 16957852

IUPAC2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1=O
InChIInChI=1S/C28H26N4O3/c1-31-28(34)25(27(33)29-22-12-14-23(15-13-22)32-16-18-35-19-17-32)24(20-8-4-2-5-9-20)26(30-31)21-10-6-3-7-11-21/h2-15H,16-19H2,1H3,(H,29,33)
InChIKeyRBNHZGKEKAZOEL-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.20
Rot. Bonds5

About 2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide

2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 16957852) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID16957852
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1=O
InChIInChI=1S/C28H26N4O3/c1-31-28(34)25(27(33)29-22-12-14-23(15-13-22)32-16-18-35-19-17-32)24(20-8-4-2-5-9-20)26(30-31)21-10-6-3-7-11-21/h2-15H,16-19H2,1H3,(H,29,33)
InChIKeyRBNHZGKEKAZOEL-UHFFFAOYSA-N
XLogP4.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790558
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790637
2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108727347
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide
CID 16832284
2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803387
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803336
3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid
CID 108790658
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2121799
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 16957852) is 2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide is Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1=O.
What is the InChIKey of 2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is RBNHZGKEKAZOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-31-28(34)25(27(33)29-22-12-14-23(15-13-22)32-16-18-35-19-17-32)24(20-8-4-2-5-9-20)26(30-31)21-10-6-3-7-11-21/h2-15H,16-19H2,1H3,(H,29,33).
What are the key properties of 2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 16957852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).