6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C22H16F6N4O3 — CID 43055975

IUPAC6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F6N4O3/c1-12-9-17(33)18(31-32(12)16-4-2-3-14(10-16)22(26,27)28)20(35)30-15-7-5-13(6-8-15)19(34)29-11-21(23,24)25/h2-10H,11H2,1H3,(H,29,34)(H,30,35)
InChIKeyJASNKWCLLZEJFU-UHFFFAOYSA-N
MW498.38 g/mol
LogP4.10
Rot. Bonds5

About 6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 43055975) has the molecular formula C22H16F6N4O3 and a molecular weight of 498.38 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID43055975
Molecular FormulaC22H16F6N4O3
Molecular Weight498.38 g/mol
Exact Mass498.11
IUPAC Name6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F6N4O3/c1-12-9-17(33)18(31-32(12)16-4-2-3-14(10-16)22(26,27)28)20(35)30-15-7-5-13(6-8-15)19(34)29-11-21(23,24)25/h2-10H,11H2,1H3,(H,29,34)(H,30,35)
InChIKeyJASNKWCLLZEJFU-UHFFFAOYSA-N
XLogP4.10
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46803536
N-[4-(2-cyanopropan-2-yl)phenyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 32744095
N-(4-acetamido-3-methylphenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46550488
6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 167743128
6-methyl-N-(4-methyl-3-sulfamoylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27163255
N-(3-hydroxypropyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78821543
N-(2-fluorophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27825520
N-(2-chlorophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27824744
6-methyl-N-(4-methylpentyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 32628634
N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 32636927
6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 37055018
N-(5-chloro-2-hydroxyphenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55436427

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 43055975) is 6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is JASNKWCLLZEJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N4O3/c1-12-9-17(33)18(31-32(12)16-4-2-3-14(10-16)22(26,27)28)20(35)30-15-7-5-13(6-8-15)19(34)29-11-21(23,24)25/h2-10H,11H2,1H3,(H,29,34)(H,30,35).
What are the key properties of 6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 498.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 43055975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).