6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide

C18H12F4N4O — CID 109119521

IUPAC6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(NCc2ccc(F)cc2)nn1
InChIInChI=1S/C18H12F4N4O/c19-11-3-1-10(2-4-11)9-23-15-8-7-14(25-26-15)18(27)24-13-6-5-12(20)16(21)17(13)22/h1-8H,9H2,(H,23,26)(H,24,27)
InChIKeyAWJHDHWYPJOPRA-UHFFFAOYSA-N
MW376.31 g/mol
LogP3.90
Rot. Bonds5

About 6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide

6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide (PubChem CID 109119521) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
PubChem CID109119521
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC Name6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(NCc2ccc(F)cc2)nn1
InChIInChI=1S/C18H12F4N4O/c19-11-3-1-10(2-4-11)9-23-15-8-7-14(25-26-15)18(27)24-13-6-5-12(20)16(21)17(13)22/h1-8H,9H2,(H,23,26)(H,24,27)
InChIKeyAWJHDHWYPJOPRA-UHFFFAOYSA-N
XLogP3.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109121081
N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 109119458
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109119412
6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109126640
N-(2,4-difluorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121063
6-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109120416
6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109127073
6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109346615
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413
6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 113200317
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791679
6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide (CID 109119521) is 6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(NCc2ccc(F)cc2)nn1.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The InChIKey is AWJHDHWYPJOPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c19-11-3-1-10(2-4-11)9-23-15-8-7-14(25-26-15)18(27)24-13-6-5-12(20)16(21)17(13)22/h1-8H,9H2,(H,23,26)(H,24,27).
What are the key properties of 6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide has a molecular weight of 376.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109119521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).