1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one

C18H24N2O3 — CID 131960539

IUPAC1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCC(=O)N1CC2C3CCC(C3)C2C1
InChIInChI=1S/C18H24N2O3/c1-11-6-14(21)8-18(23)20(11)5-4-17(22)19-9-15-12-2-3-13(7-12)16(15)10-19/h6,8,12-13,15-16,21H,2-5,7,9-10H2,1H3
InChIKeyKXLCFZBOMFRFKP-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.76
Rot. Bonds3

About 1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one

1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 131960539) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID131960539
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCC(=O)N1CC2C3CCC(C3)C2C1
InChIInChI=1S/C18H24N2O3/c1-11-6-14(21)8-18(23)20(11)5-4-17(22)19-9-15-12-2-3-13(7-12)16(15)10-19/h6,8,12-13,15-16,21H,2-5,7,9-10H2,1H3
InChIKeyKXLCFZBOMFRFKP-UHFFFAOYSA-N
XLogP1.76
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-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 1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one (CID 131960539) is 1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1CCC(=O)N1CC2C3CCC(C3)C2C1.
What is the InChIKey of 1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is KXLCFZBOMFRFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11-6-14(21)8-18(23)20(11)5-4-17(22)19-9-15-12-2-3-13(7-12)16(15)10-19/h6,8,12-13,15-16,21H,2-5,7,9-10H2,1H3.
What are the key properties of 1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one?
1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 316.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 131960539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).