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

C21H21FN4O — CID 109122089

IUPACN-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCCc3ccc(F)cc3)nn2)cc1C
InChIInChI=1S/C21H21FN4O/c1-14-3-8-18(13-15(14)2)24-21(27)19-9-10-20(26-25-19)23-12-11-16-4-6-17(22)7-5-16/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBMSNSIGAXBDWDN-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.14
Rot. Bonds6

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

N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109122089) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109122089
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCCc3ccc(F)cc3)nn2)cc1C
InChIInChI=1S/C21H21FN4O/c1-14-3-8-18(13-15(14)2)24-21(27)19-9-10-20(26-25-19)23-12-11-16-4-6-17(22)7-5-16/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBMSNSIGAXBDWDN-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-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284529
methyl 4-[[6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109122119
methyl 3-[[6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109122118
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113042585
N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122508
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308404
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282
N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192451
6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109122465
6-(ethylamino)-N-(3-fluoro-4-methylphenyl)pyridazine-3-carboxamide
CID 62166237
N-(3-chloro-4-methylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351050
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109111575

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide (CID 109122089) is N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NCCc3ccc(F)cc3)nn2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is BMSNSIGAXBDWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14-3-8-18(13-15(14)2)24-21(27)19-9-10-20(26-25-19)23-12-11-16-4-6-17(22)7-5-16/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
N-(3,4-dimethylphenyl)-6-[2-(4-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-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109122089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).