1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one

C10H16N2O2 — CID 62881033

IUPAC1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one
SMILESCOCCNCCn1ccc(=O)cc1
InChIInChI=1S/C10H16N2O2/c1-14-9-5-11-4-8-12-6-2-10(13)3-7-12/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyLKULAEZOBOFSTC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.08
Rot. Bonds6

About 1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one

1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one (PubChem CID 62881033) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one
PubChem CID62881033
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one
SMILESCOCCNCCn1ccc(=O)cc1
InChIInChI=1S/C10H16N2O2/c1-14-9-5-11-4-8-12-6-2-10(13)3-7-12/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyLKULAEZOBOFSTC-UHFFFAOYSA-N
XLogP0.08
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one (CID 62881033) is 1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one is COCCNCCn1ccc(=O)cc1.
What is the InChIKey of 1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one?
The InChIKey is LKULAEZOBOFSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-9-5-11-4-8-12-6-2-10(13)3-7-12/h2-3,6-7,11H,4-5,8-9H2,1H3.
What are the key properties of 1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one?
1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one is sourced from PubChem (CID 62881033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).