2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide

C16H17F3N4O — CID 113051469

IUPAC2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C16H17F3N4O/c1-3-9(4-2)16(24)21-13-8-7-12(22-23-13)20-11-6-5-10(17)14(18)15(11)19/h5-9H,3-4H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyLKUNAGJQKKCBFI-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.01
Rot. Bonds6

About 2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide

2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide (PubChem CID 113051469) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide
PubChem CID113051469
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C16H17F3N4O/c1-3-9(4-2)16(24)21-13-8-7-12(22-23-13)20-11-6-5-10(17)14(18)15(11)19/h5-9H,3-4H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyLKUNAGJQKKCBFI-UHFFFAOYSA-N
XLogP4.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide
CID 113047354
4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051478
methyl 4-[[6-(2-ethylbutanoylamino)pyridazin-3-yl]amino]benzoate
CID 113049466
N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109109786
2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
CID 113048284
2-ethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]butanamide
CID 113051710
N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide
CID 113051513
1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea
CID 113051505
3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051480
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide
CID 113036420
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
CID 113023032
1-pentan-3-yl-3-(2,3,4-trifluorophenyl)urea
CID 47132828

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide (CID 113051469) is 2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide is CCC(CC)C(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)nn1.
What is the InChIKey of 2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide?
The InChIKey is LKUNAGJQKKCBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-3-9(4-2)16(24)21-13-8-7-12(22-23-13)20-11-6-5-10(17)14(18)15(11)19/h5-9H,3-4H2,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of 2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide?
2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide has a molecular weight of 338.33 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113051469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).