3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide

C21H15F2N3O3 — CID 70081497

IUPAC3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide
SMILESCc1c(Oc2nc(Oc3cccc(C#N)c3)c(F)c(C)c2F)cccc1C(N)=O
InChIInChI=1S/C21H15F2N3O3/c1-11-15(19(25)27)7-4-8-16(11)29-21-18(23)12(2)17(22)20(26-21)28-14-6-3-5-13(9-14)10-24/h3-9H,1-2H3,(H2,25,27)
InChIKeyUKFRQSQVMBJYSJ-UHFFFAOYSA-N
MW395.37 g/mol
LogP4.53
Rot. Bonds5

About 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide

3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide (PubChem CID 70081497) has the molecular formula C21H15F2N3O3 and a molecular weight of 395.37 g/mol. Its IUPAC name is 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide
PubChem CID70081497
Molecular FormulaC21H15F2N3O3
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC Name3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide
SMILESCc1c(Oc2nc(Oc3cccc(C#N)c3)c(F)c(C)c2F)cccc1C(N)=O
InChIInChI=1S/C21H15F2N3O3/c1-11-15(19(25)27)7-4-8-16(11)29-21-18(23)12(2)17(22)20(26-21)28-14-6-3-5-13(9-14)10-24/h3-9H,1-2H3,(H2,25,27)
InChIKeyUKFRQSQVMBJYSJ-UHFFFAOYSA-N
XLogP4.53
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide 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-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-4-methoxybenzoic acid
CID 23441835
3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy](13C,15N)benzonitrile
CID 10611771
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-5-hydroxybenzoic acid
CID 23441720
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N,4-trimethylbenzamide
CID 10993555
3-[[3,5-difluoro-4-methyl-6-(3-nitrophenoxy)-2-pyridinyl]oxy]benzonitrile
CID 11025383
2-amino-3-(3-cyanophenoxy)benzamide
CID 113333275
2-(3-cyanophenoxy)benzenecarbothioic S-acid
CID 175378673
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 56992082
2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide
CID 10596169
2-[[6-[3-[3-(aminomethyl)phenyl]phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-4-fluorobenzoic acid
CID 69497137
4-methoxy-3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy]benzonitrile
CID 23441640
3-[[3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide
CID 11122714

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide?
The IUPAC name of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide (CID 70081497) is 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide.
What is the SMILES notation for 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide?
The canonical SMILES for 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide is Cc1c(Oc2nc(Oc3cccc(C#N)c3)c(F)c(C)c2F)cccc1C(N)=O.
What is the InChIKey of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide?
The InChIKey is UKFRQSQVMBJYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3/c1-11-15(19(25)27)7-4-8-16(11)29-21-18(23)12(2)17(22)20(26-21)28-14-6-3-5-13(9-14)10-24/h3-9H,1-2H3,(H2,25,27).
What are the key properties of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide?
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide has a molecular weight of 395.37 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide is sourced from PubChem (CID 70081497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).