6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide

C15H16ClFN4O — CID 86686133

IUPAC6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide
SMILESCC(C)(CNc1nnc(Cl)cc1C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C15H16ClFN4O/c1-15(2,9-3-5-10(17)6-4-9)8-19-14-11(13(18)22)7-12(16)20-21-14/h3-7H,8H2,1-2H3,(H2,18,22)(H,19,21)
InChIKeyBUCJQXKYLZEFRS-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.76
Rot. Bonds5

About 6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide

6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide (PubChem CID 86686133) has the molecular formula C15H16ClFN4O and a molecular weight of 322.77 g/mol. Its IUPAC name is 6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide
PubChem CID86686133
Molecular FormulaC15H16ClFN4O
Molecular Weight322.77 g/mol
Exact Mass322.10
IUPAC Name6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide
SMILESCC(C)(CNc1nnc(Cl)cc1C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C15H16ClFN4O/c1-15(2,9-3-5-10(17)6-4-9)8-19-14-11(13(18)22)7-12(16)20-21-14/h3-7H,8H2,1-2H3,(H2,18,22)(H,19,21)
InChIKeyBUCJQXKYLZEFRS-UHFFFAOYSA-N
XLogP2.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide (CID 86686133) is 6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide is CC(C)(CNc1nnc(Cl)cc1C(N)=O)c1ccc(F)cc1.
What is the InChIKey of 6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide?
The InChIKey is BUCJQXKYLZEFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O/c1-15(2,9-3-5-10(17)6-4-9)8-19-14-11(13(18)22)7-12(16)20-21-14/h3-7H,8H2,1-2H3,(H2,18,22)(H,19,21).
What are the key properties of 6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide?
6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide has a molecular weight of 322.77 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide is sourced from PubChem (CID 86686133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).