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

C20H13F6N3O3 — CID 27298636

IUPAC6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2OC(F)(F)F)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H13F6N3O3/c1-11-9-15(30)17(28-29(11)13-6-4-5-12(10-13)19(21,22)23)18(31)27-14-7-2-3-8-16(14)32-20(24,25)26/h2-10H,1H3,(H,27,31)
InChIKeyJYLNYDMNGRYIGQ-UHFFFAOYSA-N
MW457.33 g/mol
LogP4.71
Rot. Bonds4

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

6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 27298636) has the molecular formula C20H13F6N3O3 and a molecular weight of 457.33 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID27298636
Molecular FormulaC20H13F6N3O3
Molecular Weight457.33 g/mol
Exact Mass457.09
IUPAC Name6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2OC(F)(F)F)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H13F6N3O3/c1-11-9-15(30)17(28-29(11)13-6-4-5-12(10-13)19(21,22)23)18(31)27-14-7-2-3-8-16(14)32-20(24,25)26/h2-10H,1H3,(H,27,31)
InChIKeyJYLNYDMNGRYIGQ-UHFFFAOYSA-N
XLogP4.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(5-chloro-2-hydroxyphenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55436427
6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 167743128
N-(4-acetamido-3-methylphenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46550488
6-methyl-4-oxo-N-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8900552
N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42571902
N-(3-hydroxypropyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78821543
N-[4-(2-cyanopropan-2-yl)phenyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 32744095
N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 60551870
6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 37055018
ethyl 2-[[5-[[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 43032448

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 27298636) is 6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccccc2OC(F)(F)F)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is JYLNYDMNGRYIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N3O3/c1-11-9-15(30)17(28-29(11)13-6-4-5-12(10-13)19(21,22)23)18(31)27-14-7-2-3-8-16(14)32-20(24,25)26/h2-10H,1H3,(H,27,31).
What are the key properties of 6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-methyl-4-oxo-N-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 457.33 g/mol, XLogP of 4.71, 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-[2-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 27298636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).