3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide

C22H14F3N5O3 — CID 167197611

IUPAC3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCOc1cc(C#N)ccc1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C22H14F3N5O3/c1-12-18(20(31)28-15-5-3-4-13(8-15)10-26)21(30-29-19(12)22(23,24)25)33-16-7-6-14(11-27)9-17(16)32-2/h3-9H,1-2H3,(H,28,31)
InChIKeyAHYIWZZLHKJZKP-UHFFFAOYSA-N
MW453.38 g/mol
LogP4.60
Rot. Bonds5

About 3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide

3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 167197611) has the molecular formula C22H14F3N5O3 and a molecular weight of 453.38 g/mol. Its IUPAC name is 3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID167197611
Molecular FormulaC22H14F3N5O3
Molecular Weight453.38 g/mol
Exact Mass453.10
IUPAC Name3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCOc1cc(C#N)ccc1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C22H14F3N5O3/c1-12-18(20(31)28-15-5-3-4-13(8-15)10-26)21(30-29-19(12)22(23,24)25)33-16-7-6-14(11-27)9-17(16)32-2/h3-9H,1-2H3,(H,28,31)
InChIKeyAHYIWZZLHKJZKP-UHFFFAOYSA-N
XLogP4.60
TPSA120.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-cyano-2-methoxyphenoxy)-6-(4-cyanophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide
CID 175490294
methyl 3-(4-cyano-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate
CID 170556634
3-(4-cyano-2,3-difluorophenoxy)-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198399
tert-butyl N-[[3-[[3-(4-cyano-2-methoxyphenoxy)-6-(2,2-difluorocyclopropyl)-5-methylpyridazine-4-carbonyl]amino]phenyl]-methyl-oxo-λ6-sulfanylidene]carbamate
CID 170650096
3-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199380
3-(5-chloro-2-methoxyphenoxy)-5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198145
3-(5-cyano-3-methoxypyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198443
3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide
CID 175490312
3-(3-fluoro-2,4-dimethylphenoxy)-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197632
3-(5-cyano-3-methylpyrazin-2-yl)oxy-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199253
3-(4-cyano-2,3-difluoro-6-methylphenoxy)-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198713
3-(3-methoxyphenoxy)-5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198971

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of 3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 167197611) is 3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for 3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide is COc1cc(C#N)ccc1Oc1nnc(C(F)(F)F)c(C)c1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is AHYIWZZLHKJZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O3/c1-12-18(20(31)28-15-5-3-4-13(8-15)10-26)21(30-29-19(12)22(23,24)25)33-16-7-6-14(11-27)9-17(16)32-2/h3-9H,1-2H3,(H,28,31).
What are the key properties of 3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide?
3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 453.38 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 167197611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).