4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide

C23H24IN3O3 — CID 16885602

IUPAC4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccc(I)cc3)n2)cc1
InChIInChI=1S/C23H24IN3O3/c1-2-30-20-11-7-18(8-12-20)21-13-14-23(29)27(26-21)15-3-4-22(28)25-16-17-5-9-19(24)10-6-17/h5-14H,2-4,15-16H2,1H3,(H,25,28)
InChIKeySFAHDOXNWUILCW-UHFFFAOYSA-N
MW517.37 g/mol
LogP4.01
Rot. Bonds9

About 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide

4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide (PubChem CID 16885602) has the molecular formula C23H24IN3O3 and a molecular weight of 517.37 g/mol. Its IUPAC name is 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide
PubChem CID16885602
Molecular FormulaC23H24IN3O3
Molecular Weight517.37 g/mol
Exact Mass517.09
IUPAC Name4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccc(I)cc3)n2)cc1
InChIInChI=1S/C23H24IN3O3/c1-2-30-20-11-7-18(8-12-20)21-13-14-23(29)27(26-21)15-3-4-22(28)25-16-17-5-9-19(24)10-6-17/h5-14H,2-4,15-16H2,1H3,(H,25,28)
InChIKeySFAHDOXNWUILCW-UHFFFAOYSA-N
XLogP4.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 16885563
N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885496
N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885718
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-iodobenzamide
CID 41241225
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 16885732
N-[(4-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885202
3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 51366097
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide
CID 16885616
N-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885591
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 16885051
N-[(4-chlorophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885276
N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885622

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide?
The IUPAC name of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide (CID 16885602) is 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide.
What is the SMILES notation for 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide?
The canonical SMILES for 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide is CCOc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccc(I)cc3)n2)cc1.
What is the InChIKey of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide?
The InChIKey is SFAHDOXNWUILCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24IN3O3/c1-2-30-20-11-7-18(8-12-20)21-13-14-23(29)27(26-21)15-3-4-22(28)25-16-17-5-9-19(24)10-6-17/h5-14H,2-4,15-16H2,1H3,(H,25,28).
What are the key properties of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide?
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide has a molecular weight of 517.37 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide is sourced from PubChem (CID 16885602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).