N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide

C21H21FN4O3 — CID 109121963

IUPACN-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NCCc3ccccc3F)nn2)c1
InChIInChI=1S/C21H21FN4O3/c1-28-15-7-9-19(29-2)18(13-15)24-21(27)17-8-10-20(26-25-17)23-12-11-14-5-3-4-6-16(14)22/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyTWWPZEYRMIBGDI-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.54
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide

N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109121963) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109121963
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NCCc3ccccc3F)nn2)c1
InChIInChI=1S/C21H21FN4O3/c1-28-15-7-9-19(29-2)18(13-15)24-21(27)17-8-10-20(26-25-17)23-12-11-14-5-3-4-6-16(14)22/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyTWWPZEYRMIBGDI-UHFFFAOYSA-N
XLogP3.54
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284387
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119698
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122480
6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122035
N-(2,5-dimethoxyphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129150
N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121945
N-(5-chloro-2-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120023
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113743
N-(2,5-dimethoxyphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117456
N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214065

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide (CID 109121963) is N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc(NCCc3ccccc3F)nn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is TWWPZEYRMIBGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-15-7-9-19(29-2)18(13-15)24-21(27)17-8-10-20(26-25-17)23-12-11-14-5-3-4-6-16(14)22/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109121963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).