6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide

C21H21FN4O3 — CID 109122035

IUPAC6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCCc3ccccc3F)nn2)c(OC)c1
InChIInChI=1S/C21H21FN4O3/c1-28-15-7-8-17(19(13-15)29-2)24-20-10-9-18(25-26-20)21(27)23-12-11-14-5-3-4-6-16(14)22/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyWDDFKAVNFBVDNU-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.35
Rot. Bonds8

About 6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide

6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109122035) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109122035
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCCc3ccccc3F)nn2)c(OC)c1
InChIInChI=1S/C21H21FN4O3/c1-28-15-7-8-17(19(13-15)29-2)24-20-10-9-18(25-26-20)21(27)23-12-11-14-5-3-4-6-16(14)22/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyWDDFKAVNFBVDNU-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122307
N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121963
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122427
6-(2-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122308
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113743
6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109731
6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120146
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
6-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129462
6-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129294
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide (CID 109122035) is 6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)NCCc3ccccc3F)nn2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is WDDFKAVNFBVDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-15-7-8-17(19(13-15)29-2)24-20-10-9-18(25-26-20)21(27)23-12-11-14-5-3-4-6-16(14)22/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide?
6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109122035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).