3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one

C9H14N2O3 — CID 82991107

IUPAC3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one
SMILESNc1cn(CCOCCO)ccc1=O
InChIInChI=1S/C9H14N2O3/c10-8-7-11(2-1-9(8)13)3-5-14-6-4-12/h1-2,7,12H,3-6,10H2
InChIKeyDRBRIIWYRZZMFS-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.56
Rot. Bonds5

About 3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one

3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one (PubChem CID 82991107) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one
PubChem CID82991107
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one
SMILESNc1cn(CCOCCO)ccc1=O
InChIInChI=1S/C9H14N2O3/c10-8-7-11(2-1-9(8)13)3-5-14-6-4-12/h1-2,7,12H,3-6,10H2
InChIKeyDRBRIIWYRZZMFS-UHFFFAOYSA-N
XLogP-0.56
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one (CID 82991107) is 3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one is Nc1cn(CCOCCO)ccc1=O.
What is the InChIKey of 3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one?
The InChIKey is DRBRIIWYRZZMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c10-8-7-11(2-1-9(8)13)3-5-14-6-4-12/h1-2,7,12H,3-6,10H2.
What are the key properties of 3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one?
3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one has a molecular weight of 198.22 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2-hydroxyethoxy)ethyl]pyridin-4-one is sourced from PubChem (CID 82991107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).