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

C19H20F3N3O3 — CID 43067379

IUPAC6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)C2CCCO2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3N3O3/c1-11-10-15(26)17(18(27)23-12(2)16-8-5-9-28-16)24-25(11)14-7-4-3-6-13(14)19(20,21)22/h3-4,6-7,10,12,16H,5,8-9H2,1-2H3,(H,23,27)
InChIKeyKAJOCGJQRUAYLJ-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.86
Rot. Bonds4

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

6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 43067379) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID43067379
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)C2CCCO2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3N3O3/c1-11-10-15(26)17(18(27)23-12(2)16-8-5-9-28-16)24-25(11)14-7-4-3-6-13(14)19(20,21)22/h3-4,6-7,10,12,16H,5,8-9H2,1-2H3,(H,23,27)
InChIKeyKAJOCGJQRUAYLJ-UHFFFAOYSA-N
XLogP2.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide
CID 35240540
1-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]-3-propan-2-ylthiourea
CID 24502778
N-(2-hydroxypropyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78855377
N-(3-aminobutyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119494839
N-(1-amino-4-methylpentan-2-yl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119585463
N-(1-amino-4-methylpentan-2-yl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119585462
N-[2-(cyclohexanecarbonylamino)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55805670
6-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 120598465
N-[1-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperidin-4-yl]benzamide
CID 37019588
2-methyl-2-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]propanoic acid
CID 119187422
6-methyl-N-[2-(methylamino)ethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119499946
N-cyclohexyl-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 51210732

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 43067379) is 6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC(C)C2CCCO2)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is KAJOCGJQRUAYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-11-10-15(26)17(18(27)23-12(2)16-8-5-9-28-16)24-25(11)14-7-4-3-6-13(14)19(20,21)22/h3-4,6-7,10,12,16H,5,8-9H2,1-2H3,(H,23,27).
What are the key properties of 6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 43067379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).