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

C24H28N2O2 — CID 162666832

IUPAC1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCNCc1ccccc1
InChIInChI=1S/C24H28N2O2/c1-20-24(28-19-22-12-6-3-7-13-22)23(27)14-17-26(20)16-9-8-15-25-18-21-10-4-2-5-11-21/h2-7,10-14,17,25H,8-9,15-16,18-19H2,1H3
InChIKeySYPYEZVJGSDHKM-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.31
Rot. Bonds10

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

1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one (PubChem CID 162666832) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
PubChem CID162666832
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCNCc1ccccc1
InChIInChI=1S/C24H28N2O2/c1-20-24(28-19-22-12-6-3-7-13-22)23(27)14-17-26(20)16-9-8-15-25-18-21-10-4-2-5-11-21/h2-7,10-14,17,25H,8-9,15-16,18-19H2,1H3
InChIKeySYPYEZVJGSDHKM-UHFFFAOYSA-N
XLogP4.31
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one (CID 162666832) is 1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one is Cc1c(OCc2ccccc2)c(=O)ccn1CCCCNCc1ccccc1.
What is the InChIKey of 1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The InChIKey is SYPYEZVJGSDHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-20-24(28-19-22-12-6-3-7-13-22)23(27)14-17-26(20)16-9-8-15-25-18-21-10-4-2-5-11-21/h2-7,10-14,17,25H,8-9,15-16,18-19H2,1H3.
What are the key properties of 1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one?
1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one has a molecular weight of 376.50 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 162666832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).