1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one

C22H38N2O3 — CID 66562997

IUPAC1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one
SMILESCc1c(C)n(O)c(C)c(CCCCCCCCCCN2CCOCC2)c1=O
InChIInChI=1S/C22H38N2O3/c1-18-19(2)24(26)20(3)21(22(18)25)12-10-8-6-4-5-7-9-11-13-23-14-16-27-17-15-23/h26H,4-17H2,1-3H3
InChIKeyKGZFSEKEADWJCA-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.01
Rot. Bonds11

About 1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one

1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one (PubChem CID 66562997) has the molecular formula C22H38N2O3 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one.

Molecular Properties

Compound Name1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one
PubChem CID66562997
Molecular FormulaC22H38N2O3
Molecular Weight378.56 g/mol
Exact Mass378.29
IUPAC Name1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one
SMILESCc1c(C)n(O)c(C)c(CCCCCCCCCCN2CCOCC2)c1=O
InChIInChI=1S/C22H38N2O3/c1-18-19(2)24(26)20(3)21(22(18)25)12-10-8-6-4-5-7-9-11-13-23-14-16-27-17-15-23/h26H,4-17H2,1-3H3
InChIKeyKGZFSEKEADWJCA-UHFFFAOYSA-N
XLogP4.01
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-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-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one?
The IUPAC name of 1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one (CID 66562997) is 1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one.
What is the SMILES notation for 1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one?
The canonical SMILES for 1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one is Cc1c(C)n(O)c(C)c(CCCCCCCCCCN2CCOCC2)c1=O.
What is the InChIKey of 1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one?
The InChIKey is KGZFSEKEADWJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O3/c1-18-19(2)24(26)20(3)21(22(18)25)12-10-8-6-4-5-7-9-11-13-23-14-16-27-17-15-23/h26H,4-17H2,1-3H3.
What are the key properties of 1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one?
1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one has a molecular weight of 378.56 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one is sourced from PubChem (CID 66562997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).