3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one

C15H24N2O3 — CID 70802893

IUPAC3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCCCN1CCOCC1
InChIInChI=1S/C15H24N2O3/c1-13-15(19)14(18)5-8-17(13)7-4-2-3-6-16-9-11-20-12-10-16/h5,8,19H,2-4,6-7,9-12H2,1H3
InChIKeyBODZAVCYZVAEBK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.36
Rot. Bonds6

About 3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one

3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one (PubChem CID 70802893) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one
PubChem CID70802893
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCCCN1CCOCC1
InChIInChI=1S/C15H24N2O3/c1-13-15(19)14(18)5-8-17(13)7-4-2-3-6-16-9-11-20-12-10-16/h5,8,19H,2-4,6-7,9-12H2,1H3
InChIKeyBODZAVCYZVAEBK-UHFFFAOYSA-N
XLogP1.36
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one (CID 70802893) is 3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one is Cc1c(O)c(=O)ccn1CCCCCN1CCOCC1.
What is the InChIKey of 3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one?
The InChIKey is BODZAVCYZVAEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-13-15(19)14(18)5-8-17(13)7-4-2-3-6-16-9-11-20-12-10-16/h5,8,19H,2-4,6-7,9-12H2,1H3.
What are the key properties of 3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one?
3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one has a molecular weight of 280.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-(5-morpholin-4-ylpentyl)pyridin-4-one is sourced from PubChem (CID 70802893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).