2-amino-1-(5-ethyl-3-pyridinyl)ethanone

C9H12N2O — CID 84651885

IUPAC2-amino-1-(5-ethyl-3-pyridinyl)ethanone
SMILESCCc1cncc(C(=O)CN)c1
InChIInChI=1S/C9H12N2O/c1-2-7-3-8(6-11-5-7)9(12)4-10/h3,5-6H,2,4,10H2,1H3
InChIKeyXBSBAOXZBZOCPD-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.79
Rot. Bonds3

About 2-amino-1-(5-ethyl-3-pyridinyl)ethanone

2-amino-1-(5-ethyl-3-pyridinyl)ethanone (PubChem CID 84651885) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-amino-1-(5-ethyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-ethyl-3-pyridinyl)ethanone
PubChem CID84651885
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-amino-1-(5-ethyl-3-pyridinyl)ethanone
SMILESCCc1cncc(C(=O)CN)c1
InChIInChI=1S/C9H12N2O/c1-2-7-3-8(6-11-5-7)9(12)4-10/h3,5-6H,2,4,10H2,1H3
InChIKeyXBSBAOXZBZOCPD-UHFFFAOYSA-N
XLogP0.79
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-ethyl-3-pyridinyl)ethanone?
The IUPAC name of 2-amino-1-(5-ethyl-3-pyridinyl)ethanone (CID 84651885) is 2-amino-1-(5-ethyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-ethyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-amino-1-(5-ethyl-3-pyridinyl)ethanone is CCc1cncc(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(5-ethyl-3-pyridinyl)ethanone?
The InChIKey is XBSBAOXZBZOCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-7-3-8(6-11-5-7)9(12)4-10/h3,5-6H,2,4,10H2,1H3.
What are the key properties of 2-amino-1-(5-ethyl-3-pyridinyl)ethanone?
2-amino-1-(5-ethyl-3-pyridinyl)ethanone has a molecular weight of 164.21 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-ethyl-3-pyridinyl)ethanone is sourced from PubChem (CID 84651885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).