3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one

C13H21N3O2 — CID 82992794

IUPAC3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one
SMILESCC(C)N1CCOC(Cn2ccc(=O)c(N)c2)C1
InChIInChI=1S/C13H21N3O2/c1-10(2)16-5-6-18-11(8-16)7-15-4-3-13(17)12(14)9-15/h3-4,9-11H,5-8,14H2,1-2H3
InChIKeyADVZLMMBTZKXHF-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.54
Rot. Bonds3

About 3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one

3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one (PubChem CID 82992794) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one
PubChem CID82992794
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one
SMILESCC(C)N1CCOC(Cn2ccc(=O)c(N)c2)C1
InChIInChI=1S/C13H21N3O2/c1-10(2)16-5-6-18-11(8-16)7-15-4-3-13(17)12(14)9-15/h3-4,9-11H,5-8,14H2,1-2H3
InChIKeyADVZLMMBTZKXHF-UHFFFAOYSA-N
XLogP0.54
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one (CID 82992794) is 3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one is CC(C)N1CCOC(Cn2ccc(=O)c(N)c2)C1.
What is the InChIKey of 3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one?
The InChIKey is ADVZLMMBTZKXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)16-5-6-18-11(8-16)7-15-4-3-13(17)12(14)9-15/h3-4,9-11H,5-8,14H2,1-2H3.
What are the key properties of 3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one?
3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one has a molecular weight of 251.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82992794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).