4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide

C22H17F2N3O2 — CID 71922134

IUPAC4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
SMILESCc1ccc(C)c(Oc2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)cn2)c1
InChIInChI=1S/C22H17F2N3O2/c1-13-3-4-14(2)19(7-13)29-20-6-5-15(11-26-20)12-27-22(28)21-17(23)8-16(10-25)9-18(21)24/h3-9,11H,12H2,1-2H3,(H,27,28)
InChIKeyWLEQLDXJTGKTJE-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.57
Rot. Bonds5

About 4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide

4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide (PubChem CID 71922134) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is 4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
PubChem CID71922134
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC Name4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
SMILESCc1ccc(C)c(Oc2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)cn2)c1
InChIInChI=1S/C22H17F2N3O2/c1-13-3-4-14(2)19(7-13)29-20-6-5-15(11-26-20)12-27-22(28)21-17(23)8-16(10-25)9-18(21)24/h3-9,11H,12H2,1-2H3,(H,27,28)
InChIKeyWLEQLDXJTGKTJE-UHFFFAOYSA-N
XLogP4.57
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 60530398
4-bromo-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55713360
6-(2,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24698854
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 154843635
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46478525
4-(2-amino-2-oxoethoxy)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 55713703
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55725072
(2R)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95233356
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 87006586
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567362
N-[1-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 46478671
N-benzyl-4-cyano-2,6-difluorobenzamide
CID 130162116

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide?
The IUPAC name of 4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide (CID 71922134) is 4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide.
What is the SMILES notation for 4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide?
The canonical SMILES for 4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide is Cc1ccc(C)c(Oc2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)cn2)c1.
What is the InChIKey of 4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide?
The InChIKey is WLEQLDXJTGKTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c1-13-3-4-14(2)19(7-13)29-20-6-5-15(11-26-20)12-27-22(28)21-17(23)8-16(10-25)9-18(21)24/h3-9,11H,12H2,1-2H3,(H,27,28).
What are the key properties of 4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide?
4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide has a molecular weight of 393.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide is sourced from PubChem (CID 71922134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).