[4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate

C23H22N2O4 — CID 174378848

IUPAC[4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate
SMILESCC(=O)On1c(Cc2ccccc2)cc(N)c(C(=O)CCc2ccccc2)c1=O
InChIInChI=1S/C23H22N2O4/c1-16(26)29-25-19(14-18-10-6-3-7-11-18)15-20(24)22(23(25)28)21(27)13-12-17-8-4-2-5-9-17/h2-11,15H,12-14,24H2,1H3
InChIKeyIZKCSDAPWQNNLV-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.81
Rot. Bonds7

About [4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate

[4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate (PubChem CID 174378848) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate.

Molecular Properties

Compound Name[4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate
PubChem CID174378848
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate
SMILESCC(=O)On1c(Cc2ccccc2)cc(N)c(C(=O)CCc2ccccc2)c1=O
InChIInChI=1S/C23H22N2O4/c1-16(26)29-25-19(14-18-10-6-3-7-11-18)15-20(24)22(23(25)28)21(27)13-12-17-8-4-2-5-9-17/h2-11,15H,12-14,24H2,1H3
InChIKeyIZKCSDAPWQNNLV-UHFFFAOYSA-N
XLogP2.81
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate 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 [4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate?
The IUPAC name of [4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate (CID 174378848) is [4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate.
What is the SMILES notation for [4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate?
The canonical SMILES for [4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate is CC(=O)On1c(Cc2ccccc2)cc(N)c(C(=O)CCc2ccccc2)c1=O.
What is the InChIKey of [4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate?
The InChIKey is IZKCSDAPWQNNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-16(26)29-25-19(14-18-10-6-3-7-11-18)15-20(24)22(23(25)28)21(27)13-12-17-8-4-2-5-9-17/h2-11,15H,12-14,24H2,1H3.
What are the key properties of [4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate?
[4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate has a molecular weight of 390.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-benzyl-2-oxo-3-(3-phenylpropanoyl)-1-pyridinyl] acetate is sourced from PubChem (CID 174378848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).