N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide

C23H25N5O3 — CID 5009580

IUPACN-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NC(CO)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H25N5O3/c29-16-20(22(31)27-11-13-28(14-12-27)23-24-9-4-10-25-23)26-21(30)15-18-7-3-6-17-5-1-2-8-19(17)18/h1-10,20,29H,11-16H2,(H,26,30)
InChIKeyWOXQDWJOOAFJCV-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.00
Rot. Bonds6

About N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide

N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide (PubChem CID 5009580) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide
PubChem CID5009580
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NC(CO)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H25N5O3/c29-16-20(22(31)27-11-13-28(14-12-27)23-24-9-4-10-25-23)26-21(30)15-18-7-3-6-17-5-1-2-8-19(17)18/h1-10,20,29H,11-16H2,(H,26,30)
InChIKeyWOXQDWJOOAFJCV-UHFFFAOYSA-N
XLogP1.00
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 51968328
N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-pyridin-4-ylacetamide
CID 6724757
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
CID 6724203
N-[3-hydroxy-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
CID 4191749
N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 5096107
2,3,4,5,6-pentafluoro-N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 6724410
(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 6724215
2-naphthalen-1-yl-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343780
N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 4039151
N-[(2S)-3-hydroxy-1-oxo-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-2-methylpropanamide
CID 126803903
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 35807048
N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 6723457

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide (CID 5009580) is N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NC(CO)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is WOXQDWJOOAFJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-16-20(22(31)27-11-13-28(14-12-27)23-24-9-4-10-25-23)26-21(30)15-18-7-3-6-17-5-1-2-8-19(17)18/h1-10,20,29H,11-16H2,(H,26,30).
What are the key properties of N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide?
N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 419.49 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 5009580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).