N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

C17H17F3N4O — CID 109112395

IUPACN-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)11-4-3-7-13(10-11)21-15-9-8-14(23-24-15)16(25)22-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,21,24)(H,22,25)
InChIKeyHXQSLUPYMVDFTA-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.91
Rot. Bonds4

About N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (PubChem CID 109112395) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
PubChem CID109112395
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC NameN-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)11-4-3-7-13(10-11)21-15-9-8-14(23-24-15)16(25)22-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,21,24)(H,22,25)
InChIKeyHXQSLUPYMVDFTA-UHFFFAOYSA-N
XLogP3.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109115094
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113080
6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide
CID 109112372
N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109120891

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (CID 109112395) is N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is O=C(NC1CCCC1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The InChIKey is HXQSLUPYMVDFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)11-4-3-7-13(10-11)21-15-9-8-14(23-24-15)16(25)22-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6H2,(H,21,24)(H,22,25).
What are the key properties of N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109112395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).