2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide

C22H19N3O3 — CID 2810277

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide
SMILESCc1cc(C)c(C#N)c(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C22H19N3O3/c1-15-12-16(2)24-22(20(15)13-23)27-14-21(26)25-17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-12H,14H2,1-2H3,(H,25,26)
InChIKeyFEKAFFKYHUIYBJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.38
Rot. Bonds6

About 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide (PubChem CID 2810277) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide
PubChem CID2810277
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide
SMILESCc1cc(C)c(C#N)c(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C22H19N3O3/c1-15-12-16(2)24-22(20(15)13-23)27-14-21(26)25-17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-12H,14H2,1-2H3,(H,25,26)
InChIKeyFEKAFFKYHUIYBJ-UHFFFAOYSA-N
XLogP4.38
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide (CID 2810277) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide is Cc1cc(C)c(C#N)c(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is FEKAFFKYHUIYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-15-12-16(2)24-22(20(15)13-23)27-14-21(26)25-17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-12H,14H2,1-2H3,(H,25,26).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 2810277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).