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

C20H19FN4O — CID 109119458

IUPACN-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(NCc3ccc(F)cc3)nn2)c1C
InChIInChI=1S/C20H19FN4O/c1-13-4-3-5-17(14(13)2)23-20(26)18-10-11-19(25-24-18)22-12-15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCZPBIXHBJSHYMP-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.10
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109119458) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109119458
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(NCc3ccc(F)cc3)nn2)c1C
InChIInChI=1S/C20H19FN4O/c1-13-4-3-5-17(14(13)2)23-20(26)18-10-11-19(25-24-18)22-12-15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCZPBIXHBJSHYMP-UHFFFAOYSA-N
XLogP4.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
N-(2,3-dimethylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62166086
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305549
6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109119521
N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121945
6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188780
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284532
N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128462
6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109348709

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide (CID 109119458) is N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(NCc3ccc(F)cc3)nn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is CZPBIXHBJSHYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-4-3-5-17(14(13)2)23-20(26)18-10-11-19(25-24-18)22-12-15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide?
N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109119458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).