4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide

C21H21N3O3 — CID 8553685

IUPAC4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C21H21N3O3/c1-14(2)15-9-11-16(12-10-15)22-21(26)20-18(27-3)13-19(25)24(23-20)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,22,26)
InChIKeyHAEKKCCIOYMJBC-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.62
Rot. Bonds5

About 4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide

4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide (PubChem CID 8553685) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
PubChem CID8553685
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C21H21N3O3/c1-14(2)15-9-11-16(12-10-15)22-21(26)20-18(27-3)13-19(25)24(23-20)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,22,26)
InChIKeyHAEKKCCIOYMJBC-UHFFFAOYSA-N
XLogP3.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide (CID 8553685) is 4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide is COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is HAEKKCCIOYMJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14(2)15-9-11-16(12-10-15)22-21(26)20-18(27-3)13-19(25)24(23-20)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,22,26).
What are the key properties of 4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 8553685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).