1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one

C25H30N2O2 — CID 162669599

IUPAC1-[5-(benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCC1=C(C(=O)C=CN1CCCCCNCC2=CC=CC=C2)OCC3=CC=CC=C3
InChIInChI=1S/C25H30N2O2/c1-21-25(29-20-23-13-7-3-8-14-23)24(28)15-18-27(21)17-10-4-9-16-26-19-22-11-5-2-6-12-22/h2-3,5-8,11-15,18,26H,4,9-10,16-17,19-20H2,1H3
InChIKeyINFWNWVTESHPFC-UHFFFAOYSA-N
MW390.50 g/mol
LogP4.50
Rot. Bonds11

About 1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one

1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one (PubChem CID 162669599) has the molecular formula C25H30N2O2 and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-[5-(benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
PubChem CID162669599
Molecular FormulaC25H30N2O2
Molecular Weight390.50 g/mol
Exact Mass390.23
IUPAC Name1-[5-(benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCC1=C(C(=O)C=CN1CCCCCNCC2=CC=CC=C2)OCC3=CC=CC=C3
InChIInChI=1S/C25H30N2O2/c1-21-25(29-20-23-13-7-3-8-14-23)24(28)15-18-27(21)17-10-4-9-16-26-19-22-11-5-2-6-12-22/h2-3,5-8,11-15,18,26H,4,9-10,16-17,19-20H2,1H3
InChIKeyINFWNWVTESHPFC-UHFFFAOYSA-N
XLogP4.50
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity557

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 54.50
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-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one (CID 162669599) is 1-[5-(benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one is CC1=C(C(=O)C=CN1CCCCCNCC2=CC=CC=C2)OCC3=CC=CC=C3.
What is the InChIKey of 1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one?
The InChIKey is INFWNWVTESHPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-21-25(29-20-23-13-7-3-8-14-23)24(28)15-18-27(21)17-10-4-9-16-26-19-22-11-5-2-6-12-22/h2-3,5-8,11-15,18,26H,4,9-10,16-17,19-20H2,1H3.
What are the key properties of 1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one?
1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one has a molecular weight of 390.50 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 162669599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).