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

C16H15N3O2 — CID 2810109

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide
SMILESCc1cc(C)c(C#N)c(OCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C16H15N3O2/c1-11-8-12(2)18-16(14(11)9-17)21-10-15(20)19-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,19,20)
InChIKeyKGRSBAOFLDSSGD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.59
Rot. Bonds4

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

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide (PubChem CID 2810109) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide
PubChem CID2810109
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide
SMILESCc1cc(C)c(C#N)c(OCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C16H15N3O2/c1-11-8-12(2)18-16(14(11)9-17)21-10-15(20)19-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,19,20)
InChIKeyKGRSBAOFLDSSGD-UHFFFAOYSA-N
XLogP2.59
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide (CID 2810109) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide is Cc1cc(C)c(C#N)c(OCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide?
The InChIKey is KGRSBAOFLDSSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-8-12(2)18-16(14(11)9-17)21-10-15(20)19-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide has a molecular weight of 281.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-phenylacetamide is sourced from PubChem (CID 2810109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).