1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide

C23H25FN4O2 — CID 60566526

IUPAC1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCCCN(C)c2ccccc2)nn1-c1ccccc1F
InChIInChI=1S/C23H25FN4O2/c1-17-16-21(29)22(26-28(17)20-13-7-6-12-19(20)24)23(30)25-14-8-9-15-27(2)18-10-4-3-5-11-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,25,30)
InChIKeyUDZHRVXSOREGNO-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.33
Rot. Bonds8

About 1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide (PubChem CID 60566526) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide
PubChem CID60566526
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCCCN(C)c2ccccc2)nn1-c1ccccc1F
InChIInChI=1S/C23H25FN4O2/c1-17-16-21(29)22(26-28(17)20-13-7-6-12-19(20)24)23(30)25-14-8-9-15-27(2)18-10-4-3-5-11-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,25,30)
InChIKeyUDZHRVXSOREGNO-UHFFFAOYSA-N
XLogP3.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide
CID 8529544
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1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 110886119
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
N-[4-(dimethylamino)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 92517374
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9291779
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]pyridazine-3-carboxamide
CID 55545731
N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 41278411
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride
CID 119447197
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 55750161

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide (CID 60566526) is 1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCCCN(C)c2ccccc2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide?
The InChIKey is UDZHRVXSOREGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-17-16-21(29)22(26-28(17)20-13-7-6-12-19(20)24)23(30)25-14-8-9-15-27(2)18-10-4-3-5-11-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,25,30).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 60566526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).