1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide

C18H20F3N3O3 — CID 55803508

IUPAC1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C18H20F3N3O3/c1-2-3-11-24-16(25)9-8-15(23-24)17(26)22-10-12-27-14-6-4-13(5-7-14)18(19,20)21/h4-9H,2-3,10-12H2,1H3,(H,22,26)
InChIKeyZRWMMGAOBCFSPQ-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.87
Rot. Bonds8

About 1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide

1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide (PubChem CID 55803508) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide
PubChem CID55803508
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C18H20F3N3O3/c1-2-3-11-24-16(25)9-8-15(23-24)17(26)22-10-12-27-14-6-4-13(5-7-14)18(19,20)21/h4-9H,2-3,10-12H2,1H3,(H,22,26)
InChIKeyZRWMMGAOBCFSPQ-UHFFFAOYSA-N
XLogP2.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.87
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-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 121066856
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 31483011
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
1-butyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-oxopyridazine-3-carboxamide
CID 78808234
6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 30293285
1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 37361215
1-butyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 103767607
4-[2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]ethyl]benzoic acid
CID 71894223

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide (CID 55803508) is 1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide?
The InChIKey is ZRWMMGAOBCFSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-2-3-11-24-16(25)9-8-15(23-24)17(26)22-10-12-27-14-6-4-13(5-7-14)18(19,20)21/h4-9H,2-3,10-12H2,1H3,(H,22,26).
What are the key properties of 1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide?
1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55803508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).