1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide

C18H14IN3O2 — CID 26517474

IUPAC1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C18H14IN3O2/c19-14-7-4-8-15(11-14)20-18(24)16-9-10-17(23)22(21-16)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,20,24)
InChIKeyRCBMXCAGEHDOGD-UHFFFAOYSA-N
MW431.23 g/mol
LogP3.15
Rot. Bonds4

About 1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide

1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 26517474) has the molecular formula C18H14IN3O2 and a molecular weight of 431.23 g/mol. Its IUPAC name is 1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID26517474
Molecular FormulaC18H14IN3O2
Molecular Weight431.23 g/mol
Exact Mass431.01
IUPAC Name1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C18H14IN3O2/c19-14-7-4-8-15(11-14)20-18(24)16-9-10-17(23)22(21-16)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,20,24)
InChIKeyRCBMXCAGEHDOGD-UHFFFAOYSA-N
XLogP3.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide
CID 31520736
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146
1-benzyl-N-(3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161871
1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 24677650
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide
CID 2095361
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662
1-benzyl-N-(4-fluoro-3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161885
1-benzyl-N-(2-chloro-4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26253498
1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide
CID 121067000

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide (CID 26517474) is 1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide is O=C(Nc1cccc(I)c1)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is RCBMXCAGEHDOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14IN3O2/c19-14-7-4-8-15(11-14)20-18(24)16-9-10-17(23)22(21-16)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,20,24).
What are the key properties of 1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide?
1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 431.23 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 26517474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).