3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one

C19H26N2O6 — CID 59537194

IUPAC3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one
SMILESCOCC(CCn1cccc(O)c1=O)(CCn1cccc(O)c1=O)COC
InChIInChI=1S/C19H26N2O6/c1-26-13-19(14-27-2,7-11-20-9-3-5-15(22)17(20)24)8-12-21-10-4-6-16(23)18(21)25/h3-6,9-10,22-23H,7-8,11-14H2,1-2H3
InChIKeyJIDCQAWWDIPRQC-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.18
Rot. Bonds10

About 3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one

3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one (PubChem CID 59537194) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one
PubChem CID59537194
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one
SMILESCOCC(CCn1cccc(O)c1=O)(CCn1cccc(O)c1=O)COC
InChIInChI=1S/C19H26N2O6/c1-26-13-19(14-27-2,7-11-20-9-3-5-15(22)17(20)24)8-12-21-10-4-6-16(23)18(21)25/h3-6,9-10,22-23H,7-8,11-14H2,1-2H3
InChIKeyJIDCQAWWDIPRQC-UHFFFAOYSA-N
XLogP1.18
TPSA102.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one?
The IUPAC name of 3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one (CID 59537194) is 3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one.
What is the SMILES notation for 3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one?
The canonical SMILES for 3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one is COCC(CCn1cccc(O)c1=O)(CCn1cccc(O)c1=O)COC.
What is the InChIKey of 3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one?
The InChIKey is JIDCQAWWDIPRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-26-13-19(14-27-2,7-11-20-9-3-5-15(22)17(20)24)8-12-21-10-4-6-16(23)18(21)25/h3-6,9-10,22-23H,7-8,11-14H2,1-2H3.
What are the key properties of 3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one?
3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one has a molecular weight of 378.43 g/mol, XLogP of 1.18, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one is sourced from PubChem (CID 59537194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).