N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C20H18F3N3O2S — CID 39967969

IUPACN-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O
InChIInChI=1S/C20H18F3N3O2S/c1-3-25(12-14-7-6-10-29-14)19(28)18-17(27)11-13(2)26(24-18)16-9-5-4-8-15(16)20(21,22)23/h4-11H,3,12H2,1-2H3
InChIKeyKNGTYKXWEGUALT-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.28
Rot. Bonds5

About N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 39967969) has the molecular formula C20H18F3N3O2S and a molecular weight of 421.44 g/mol. Its IUPAC name is N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID39967969
Molecular FormulaC20H18F3N3O2S
Molecular Weight421.44 g/mol
Exact Mass421.11
IUPAC NameN-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O
InChIInChI=1S/C20H18F3N3O2S/c1-3-25(12-14-7-6-10-29-14)19(28)18-17(27)11-13(2)26(24-18)16-9-5-4-8-15(16)20(21,22)23/h4-11H,3,12H2,1-2H3
InChIKeyKNGTYKXWEGUALT-UHFFFAOYSA-N
XLogP4.28
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55981284
N-benzyl-N-cyclopropyl-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 38252656
6-methyl-N-[2-(methylamino)ethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119499946
1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 8933859
N-cyclohexyl-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 51210732
N-[2-[(2-fluorobenzoyl)amino]ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55974052
N-(2-hydroxypropyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78855377
N-(2-aminoethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119382037
N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 24504674
2-methyl-2-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]propanoic acid
CID 119187422
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 55414588
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 39967827

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 39967969) is N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CCN(Cc1cccs1)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O.
What is the InChIKey of N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is KNGTYKXWEGUALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2S/c1-3-25(12-14-7-6-10-29-14)19(28)18-17(27)11-13(2)26(24-18)16-9-5-4-8-15(16)20(21,22)23/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 421.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 39967969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).