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

C11H18N2O3 — CID 103179662

IUPAC3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one
SMILESCOCCCOCCn1ccc(=O)c(N)c1
InChIInChI=1S/C11H18N2O3/c1-15-6-2-7-16-8-5-13-4-3-11(14)10(12)9-13/h3-4,9H,2,5-8,12H2,1H3
InChIKeyHTYVXYPFTFMMEC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.48
Rot. Bonds7

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

3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one (PubChem CID 103179662) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one
PubChem CID103179662
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one
SMILESCOCCCOCCn1ccc(=O)c(N)c1
InChIInChI=1S/C11H18N2O3/c1-15-6-2-7-16-8-5-13-4-3-11(14)10(12)9-13/h3-4,9H,2,5-8,12H2,1H3
InChIKeyHTYVXYPFTFMMEC-UHFFFAOYSA-N
XLogP0.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
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-(3-methoxypropoxy)ethyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one (CID 103179662) is 3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one is COCCCOCCn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one?
The InChIKey is HTYVXYPFTFMMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-15-6-2-7-16-8-5-13-4-3-11(14)10(12)9-13/h3-4,9H,2,5-8,12H2,1H3.
What are the key properties of 3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one?
3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one has a molecular weight of 226.28 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-methoxypropoxy)ethyl]pyridin-4-one is sourced from PubChem (CID 103179662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).