2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide

C14H21N3O — CID 136531795

IUPAC2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide
SMILESCC1(C)CCCC(CC(=O)Nc2cnccn2)C1
InChIInChI=1S/C14H21N3O/c1-14(2)5-3-4-11(9-14)8-13(18)17-12-10-15-6-7-16-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyMXEJNCOBTMDBOE-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.02
Rot. Bonds3

About 2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide

2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide (PubChem CID 136531795) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide
PubChem CID136531795
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide
SMILESCC1(C)CCCC(CC(=O)Nc2cnccn2)C1
InChIInChI=1S/C14H21N3O/c1-14(2)5-3-4-11(9-14)8-13(18)17-12-10-15-6-7-16-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyMXEJNCOBTMDBOE-UHFFFAOYSA-N
XLogP3.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide (CID 136531795) is 2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide is CC1(C)CCCC(CC(=O)Nc2cnccn2)C1.
What is the InChIKey of 2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide?
The InChIKey is MXEJNCOBTMDBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2)5-3-4-11(9-14)8-13(18)17-12-10-15-6-7-16-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide?
2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide has a molecular weight of 247.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 136531795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).