3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

C16H26N2O3 — CID 82217716

IUPAC3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCC2)n1CCCCCO
InChIInChI=1S/C16H26N2O3/c1-13-11-15(20)16(21)14(12-17-7-4-5-8-17)18(13)9-3-2-6-10-19/h11,19,21H,2-10,12H2,1H3
InChIKeyMEVXANAPXKZLQB-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.62
Rot. Bonds7

About 3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217716) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
PubChem CID82217716
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCC2)n1CCCCCO
InChIInChI=1S/C16H26N2O3/c1-13-11-15(20)16(21)14(12-17-7-4-5-8-17)18(13)9-3-2-6-10-19/h11,19,21H,2-10,12H2,1H3
InChIKeyMEVXANAPXKZLQB-UHFFFAOYSA-N
XLogP1.62
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
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-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (CID 82217716) is 3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is Cc1cc(=O)c(O)c(CN2CCCC2)n1CCCCCO.
What is the InChIKey of 3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The InChIKey is MEVXANAPXKZLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13-11-15(20)16(21)14(12-17-7-4-5-8-17)18(13)9-3-2-6-10-19/h11,19,21H,2-10,12H2,1H3.
What are the key properties of 3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one has a molecular weight of 294.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(5-hydroxypentyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).