ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen

C11H20N2O — CID 156799245

IUPACethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen
SMILESCC.CCc1ccc(CC(N)=O)cn1.[H][H]
InChIInChI=1S/C9H12N2O.C2H6.H2/c1-2-8-4-3-7(6-11-8)5-9(10)12;1-2;/h3-4,6H,2,5H2,1H3,(H2,10,12);1-2H3;1H
InChIKeySEXGMXWTXGQGNG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.94
Rot. Bonds3

About ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen

ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen (PubChem CID 156799245) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen
PubChem CID156799245
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen
SMILESCC.CCc1ccc(CC(N)=O)cn1.[H][H]
InChIInChI=1S/C9H12N2O.C2H6.H2/c1-2-8-4-3-7(6-11-8)5-9(10)12;1-2;/h3-4,6H,2,5H2,1H3,(H2,10,12);1-2H3;1H
InChIKeySEXGMXWTXGQGNG-UHFFFAOYSA-N
XLogP1.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen?
The IUPAC name of ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen (CID 156799245) is ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen.
What is the SMILES notation for ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen?
The canonical SMILES for ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen is CC.CCc1ccc(CC(N)=O)cn1.[H][H].
What is the InChIKey of ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen?
The InChIKey is SEXGMXWTXGQGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6.H2/c1-2-8-4-3-7(6-11-8)5-9(10)12;1-2;/h3-4,6H,2,5H2,1H3,(H2,10,12);1-2H3;1H.
What are the key properties of ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen?
ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen has a molecular weight of 196.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen is sourced from PubChem (CID 156799245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).