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

C12H20N2O4 — CID 104562963

IUPAC3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one
SMILESCOCCOCCOCCn1ccc(=O)c(N)c1
InChIInChI=1S/C12H20N2O4/c1-16-6-7-18-9-8-17-5-4-14-3-2-12(15)11(13)10-14/h2-3,10H,4-9,13H2,1H3
InChIKeyBKGDTIZDVSDPBI-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.11
Rot. Bonds9

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

3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one (PubChem CID 104562963) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one
PubChem CID104562963
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one
SMILESCOCCOCCOCCn1ccc(=O)c(N)c1
InChIInChI=1S/C12H20N2O4/c1-16-6-7-18-9-8-17-5-4-14-3-2-12(15)11(13)10-14/h2-3,10H,4-9,13H2,1H3
InChIKeyBKGDTIZDVSDPBI-UHFFFAOYSA-N
XLogP0.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one (CID 104562963) is 3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one is COCCOCCOCCn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one?
The InChIKey is BKGDTIZDVSDPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-16-6-7-18-9-8-17-5-4-14-3-2-12(15)11(13)10-14/h2-3,10H,4-9,13H2,1H3.
What are the key properties of 3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one?
3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one has a molecular weight of 256.30 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-one is sourced from PubChem (CID 104562963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).