1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one

C19H20N2O5 — CID 158991927

IUPAC1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one
SMILESNCCn1ccc(=O)c(O)c1.O=c1ccocc1OCc1ccccc1
InChIInChI=1S/C12H10O3.C7H10N2O2/c13-11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10;8-2-4-9-3-1-6(10)7(11)5-9/h1-7,9H,8H2;1,3,5,11H,2,4,8H2
InChIKeyJQGPIYRQRYVIMZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.73
Rot. Bonds5

About 1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one

1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one (PubChem CID 158991927) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one
PubChem CID158991927
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one
SMILESNCCn1ccc(=O)c(O)c1.O=c1ccocc1OCc1ccccc1
InChIInChI=1S/C12H10O3.C7H10N2O2/c13-11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10;8-2-4-9-3-1-6(10)7(11)5-9/h1-7,9H,8H2;1,3,5,11H,2,4,8H2
InChIKeyJQGPIYRQRYVIMZ-UHFFFAOYSA-N
XLogP1.73
TPSA107.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-3-hydroxypyridin-4-one;dihydrochloride
CID 56842542
benzyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499261
2-(furan-3-ylmethoxy)phenol
CID 83172625
1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one
CID 178047506
2-(azepane-1-carbonyl)-5-phenylmethoxypyran-4-one
CID 42226882
2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 11172595
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
3-hydroxy-1-[13-(3-hydroxy-4-oxo-1-pyridinyl)-7-[6-(3-hydroxy-4-oxo-1-pyridinyl)hexyl]tridecyl]pyridin-4-one
CID 122220923
1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-3-phenylmethoxypyridin-4-one
CID 6482123
ethane;1-ethyl-3-hydroxypyridin-4-one
CID 168951321
2-[(3-hydroxyphenoxy)methyl]-5-phenylmethoxypyran-4-one
CID 88544637
1-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]pyridin-4-one
CID 154265521

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one?
The IUPAC name of 1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one (CID 158991927) is 1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one.
What is the SMILES notation for 1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one?
The canonical SMILES for 1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one is NCCn1ccc(=O)c(O)c1.O=c1ccocc1OCc1ccccc1.
What is the InChIKey of 1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one?
The InChIKey is JQGPIYRQRYVIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3.C7H10N2O2/c13-11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10;8-2-4-9-3-1-6(10)7(11)5-9/h1-7,9H,8H2;1,3,5,11H,2,4,8H2.
What are the key properties of 1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one?
1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one has a molecular weight of 356.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-hydroxypyridin-4-one;3-phenylmethoxypyran-4-one is sourced from PubChem (CID 158991927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).