1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one

C13H20N2O2 — CID 79885682

IUPAC1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one
SMILESCCOC1CC(N)C1n1c(C)cc(=O)cc1C
InChIInChI=1S/C13H20N2O2/c1-4-17-12-7-11(14)13(12)15-8(2)5-10(16)6-9(15)3/h5-6,11-13H,4,7,14H2,1-3H3
InChIKeyYAVKMMDLQIFKGP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.14
Rot. Bonds3

About 1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one

1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one (PubChem CID 79885682) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one
PubChem CID79885682
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one
SMILESCCOC1CC(N)C1n1c(C)cc(=O)cc1C
InChIInChI=1S/C13H20N2O2/c1-4-17-12-7-11(14)13(12)15-8(2)5-10(16)6-9(15)3/h5-6,11-13H,4,7,14H2,1-3H3
InChIKeyYAVKMMDLQIFKGP-UHFFFAOYSA-N
XLogP1.14
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one (CID 79885682) is 1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one is CCOC1CC(N)C1n1c(C)cc(=O)cc1C.
What is the InChIKey of 1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one?
The InChIKey is YAVKMMDLQIFKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-12-7-11(14)13(12)15-8(2)5-10(16)6-9(15)3/h5-6,11-13H,4,7,14H2,1-3H3.
What are the key properties of 1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one?
1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one has a molecular weight of 236.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-ethoxycyclobutyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).