1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide

C15H15ClIN3O2 — CID 55677510

IUPAC1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(I)cc2Cl)ccc1=O
InChIInChI=1S/C15H15ClIN3O2/c1-2-3-8-20-14(21)7-6-13(19-20)15(22)18-12-5-4-10(17)9-11(12)16/h4-7,9H,2-3,8H2,1H3,(H,18,22)
InChIKeyCXSYQWZMQSDEBR-UHFFFAOYSA-N
MW431.66 g/mol
LogP3.55
Rot. Bonds5

About 1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 55677510) has the molecular formula C15H15ClIN3O2 and a molecular weight of 431.66 g/mol. Its IUPAC name is 1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID55677510
Molecular FormulaC15H15ClIN3O2
Molecular Weight431.66 g/mol
Exact Mass430.99
IUPAC Name1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(I)cc2Cl)ccc1=O
InChIInChI=1S/C15H15ClIN3O2/c1-2-3-8-20-14(21)7-6-13(19-20)15(22)18-12-5-4-10(17)9-11(12)16/h4-7,9H,2-3,8H2,1H3,(H,18,22)
InChIKeyCXSYQWZMQSDEBR-UHFFFAOYSA-N
XLogP3.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.66
LogP ≤ 53.55
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-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161972
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
1-butyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 39753441
1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 2456827
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 87004540

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide (CID 55677510) is 1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ccc(I)cc2Cl)ccc1=O.
What is the InChIKey of 1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is CXSYQWZMQSDEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClIN3O2/c1-2-3-8-20-14(21)7-6-13(19-20)15(22)18-12-5-4-10(17)9-11(12)16/h4-7,9H,2-3,8H2,1H3,(H,18,22).
What are the key properties of 1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 431.66 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55677510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).