3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one

C18H20N2O5 — CID 71826974

IUPAC3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one
SMILESCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2cccnc2)o1
InChIInChI=1S/C18H20N2O5/c1-12-9-15(21)17(23)18(25-12)14(13-3-2-4-19-11-13)10-16(22)20-5-7-24-8-6-20/h2-4,9,11,14,23H,5-8,10H2,1H3
InChIKeyVBHVLQMBQGFFEX-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.43
Rot. Bonds4

About 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one

3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one (PubChem CID 71826974) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one
PubChem CID71826974
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one
SMILESCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2cccnc2)o1
InChIInChI=1S/C18H20N2O5/c1-12-9-15(21)17(23)18(25-12)14(13-3-2-4-19-11-13)10-16(22)20-5-7-24-8-6-20/h2-4,9,11,14,23H,5-8,10H2,1H3
InChIKeyVBHVLQMBQGFFEX-UHFFFAOYSA-N
XLogP1.43
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one (CID 71826974) is 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one is Cc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2cccnc2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one?
The InChIKey is VBHVLQMBQGFFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12-9-15(21)17(23)18(25-12)14(13-3-2-4-19-11-13)10-16(22)20-5-7-24-8-6-20/h2-4,9,11,14,23H,5-8,10H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one?
3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one has a molecular weight of 344.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-pyridin-3-ylpropyl)pyran-4-one is sourced from PubChem (CID 71826974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).