N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide

C14H17N3O2 — CID 71063607

IUPACN-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H17N3O2/c1-10(18)17-12-3-5-13(6-4-12)19-14-7-2-11(8-15)9-16-14/h2,7,9,12-13H,3-6H2,1H3,(H,17,18)
InChIKeyWJNSVXFSWHAQGU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.78
Rot. Bonds3

About N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide

N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide (PubChem CID 71063607) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide
PubChem CID71063607
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H17N3O2/c1-10(18)17-12-3-5-13(6-4-12)19-14-7-2-11(8-15)9-16-14/h2,7,9,12-13H,3-6H2,1H3,(H,17,18)
InChIKeyWJNSVXFSWHAQGU-UHFFFAOYSA-N
XLogP1.78
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide?
The IUPAC name of N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide (CID 71063607) is N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide is CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1.
What is the InChIKey of N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide?
The InChIKey is WJNSVXFSWHAQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(18)17-12-3-5-13(6-4-12)19-14-7-2-11(8-15)9-16-14/h2,7,9,12-13H,3-6H2,1H3,(H,17,18).
What are the key properties of N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide?
N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide is sourced from PubChem (CID 71063607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).