1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one

C26H32N2O2 — CID 162671445

IUPAC1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCCCNCc1ccccc1
InChIInChI=1S/C26H32N2O2/c1-22-26(30-21-24-14-8-5-9-15-24)25(29)16-19-28(22)18-11-3-2-10-17-27-20-23-12-6-4-7-13-23/h4-9,12-16,19,27H,2-3,10-11,17-18,20-21H2,1H3
InChIKeyUIAHSQRUFROBRQ-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.09
Rot. Bonds12

About 1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one

1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one (PubChem CID 162671445) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one
PubChem CID162671445
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCCCNCc1ccccc1
InChIInChI=1S/C26H32N2O2/c1-22-26(30-21-24-14-8-5-9-15-24)25(29)16-19-28(22)18-11-3-2-10-17-27-20-23-12-6-4-7-13-23/h4-9,12-16,19,27H,2-3,10-11,17-18,20-21H2,1H3
InChIKeyUIAHSQRUFROBRQ-UHFFFAOYSA-N
XLogP5.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-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-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one (CID 162671445) is 1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one is Cc1c(OCc2ccccc2)c(=O)ccn1CCCCCCNCc1ccccc1.
What is the InChIKey of 1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The InChIKey is UIAHSQRUFROBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-22-26(30-21-24-14-8-5-9-15-24)25(29)16-19-28(22)18-11-3-2-10-17-27-20-23-12-6-4-7-13-23/h4-9,12-16,19,27H,2-3,10-11,17-18,20-21H2,1H3.
What are the key properties of 1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one?
1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one has a molecular weight of 404.55 g/mol, XLogP of 5.09, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(benzylamino)hexyl]-2-methyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 162671445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).