6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one

C16H26N2O2 — CID 139553638

IUPAC6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one
SMILESCCCNCc1c(C)cc(C2CCCCC2)n(O)c1=O
InChIInChI=1S/C16H26N2O2/c1-3-9-17-11-14-12(2)10-15(18(20)16(14)19)13-7-5-4-6-8-13/h10,13,17,20H,3-9,11H2,1-2H3
InChIKeyBNTLLKPEEUMPCH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.94
Rot. Bonds5

About 6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one

6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one (PubChem CID 139553638) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one
PubChem CID139553638
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one
SMILESCCCNCc1c(C)cc(C2CCCCC2)n(O)c1=O
InChIInChI=1S/C16H26N2O2/c1-3-9-17-11-14-12(2)10-15(18(20)16(14)19)13-7-5-4-6-8-13/h10,13,17,20H,3-9,11H2,1-2H3
InChIKeyBNTLLKPEEUMPCH-UHFFFAOYSA-N
XLogP2.94
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one?
The IUPAC name of 6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one (CID 139553638) is 6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one?
The canonical SMILES for 6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one is CCCNCc1c(C)cc(C2CCCCC2)n(O)c1=O.
What is the InChIKey of 6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one?
The InChIKey is BNTLLKPEEUMPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-9-17-11-14-12(2)10-15(18(20)16(14)19)13-7-5-4-6-8-13/h10,13,17,20H,3-9,11H2,1-2H3.
What are the key properties of 6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one?
6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-hydroxy-4-methyl-3-(propylaminomethyl)pyridin-2-one is sourced from PubChem (CID 139553638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).