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

C21H21FN4O — CID 109121945

IUPACN-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(NCCc3ccccc3F)nn2)c1C
InChIInChI=1S/C21H21FN4O/c1-14-6-5-9-18(15(14)2)24-21(27)19-10-11-20(26-25-19)23-13-12-16-7-3-4-8-17(16)22/h3-11H,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYYBMOSHEZFMBAN-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.14
Rot. Bonds6

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

N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109121945) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109121945
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(NCCc3ccccc3F)nn2)c1C
InChIInChI=1S/C21H21FN4O/c1-14-6-5-9-18(15(14)2)24-21(27)19-10-11-20(26-25-19)23-13-12-16-7-3-4-8-17(16)22/h3-11H,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYYBMOSHEZFMBAN-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62166086
N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121963
N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121967
N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 109119458
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122480
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113743
N-(2,3-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369592
6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109119228
6-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121372
N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113042536
N-(2,6-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371788

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide (CID 109121945) is N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(NCCc3ccccc3F)nn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is YYBMOSHEZFMBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14-6-5-9-18(15(14)2)24-21(27)19-10-11-20(26-25-19)23-13-12-16-7-3-4-8-17(16)22/h3-11H,12-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.14, 6 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-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109121945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).