6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide

C21H21FN4O — CID 109119228

IUPAC6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(NCc2ccccc2F)nn1
InChIInChI=1S/C21H21FN4O/c1-14(2)16-8-4-6-10-18(16)24-21(27)19-11-12-20(26-25-19)23-13-15-7-3-5-9-17(15)22/h3-12,14H,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyRCMGJPUFOGMTBQ-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.60
Rot. Bonds6

About 6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide

6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109119228) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
PubChem CID109119228
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(NCc2ccccc2F)nn1
InChIInChI=1S/C21H21FN4O/c1-14(2)16-8-4-6-10-18(16)24-21(27)19-11-12-20(26-25-19)23-13-15-7-3-5-9-17(15)22/h3-12,14H,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyRCMGJPUFOGMTBQ-UHFFFAOYSA-N
XLogP4.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128181
2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257062
6-hydrazinyl-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 62236502
1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109047196
N-(2,6-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120054
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109188310
6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128192
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121945
6-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119292
2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086448
N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041356

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide (CID 109119228) is 6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide is CC(C)c1ccccc1NC(=O)c1ccc(NCc2ccccc2F)nn1.
What is the InChIKey of 6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is RCMGJPUFOGMTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14(2)16-8-4-6-10-18(16)24-21(27)19-11-12-20(26-25-19)23-13-15-7-3-5-9-17(15)22/h3-12,14H,13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109119228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).