N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide

C21H21FN4O — CID 113042585

IUPACN-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCc3ccc(F)cc3)nn2)cc1C
InChIInChI=1S/C21H21FN4O/c1-14-3-6-17(13-15(14)2)21(27)24-20-10-9-19(25-26-20)23-12-11-16-4-7-18(22)8-5-16/h3-10,13H,11-12H2,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyMUGNKZWDAKEQGM-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.14
Rot. Bonds6

About N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide

N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide (PubChem CID 113042585) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
PubChem CID113042585
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCc3ccc(F)cc3)nn2)cc1C
InChIInChI=1S/C21H21FN4O/c1-14-3-6-17(13-15(14)2)21(27)24-20-10-9-19(25-26-20)23-12-11-16-4-7-18(22)8-5-16/h3-10,13H,11-12H2,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyMUGNKZWDAKEQGM-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

4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042326
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113042583
N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122089
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042323
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113041686
3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide
CID 113013026
N-[3-(4-fluorophenyl)propyl]-3,4-dimethylbenzamide
CID 100670175
methyl 4-[[6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109122119
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113040656
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109158658

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide (CID 113042585) is N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(NCCc3ccc(F)cc3)nn2)cc1C.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide?
The InChIKey is MUGNKZWDAKEQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14-3-6-17(13-15(14)2)21(27)24-20-10-9-19(25-26-20)23-12-11-16-4-7-18(22)8-5-16/h3-10,13H,11-12H2,1-2H3,(H,23,25)(H,24,26,27).
What are the key properties of N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide?
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide 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-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113042585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).