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

C16H15N3O2 — CID 714288

IUPACN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C16H15N3O2/c1-10-7-11(2)18-16(15(10)9-17)21-14-6-4-5-13(8-14)19-12(3)20/h4-8H,1-3H3,(H,19,20)
InChIKeyJKHDMRUTQIMQCP-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.32
Rot. Bonds3

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

N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide (PubChem CID 714288) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide
PubChem CID714288
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C16H15N3O2/c1-10-7-11(2)18-16(15(10)9-17)21-14-6-4-5-13(8-14)19-12(3)20/h4-8H,1-3H3,(H,19,20)
InChIKeyJKHDMRUTQIMQCP-UHFFFAOYSA-N
XLogP3.32
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide?
The IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide (CID 714288) is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide?
The canonical SMILES for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide is CC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1.
What is the InChIKey of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide?
The InChIKey is JKHDMRUTQIMQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-7-11(2)18-16(15(10)9-17)21-14-6-4-5-13(8-14)19-12(3)20/h4-8H,1-3H3,(H,19,20).
What are the key properties of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide?
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide has a molecular weight of 281.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide is sourced from PubChem (CID 714288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).