N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide

C24H19N3O2 — CID 504994

IUPACN-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide
SMILESO=C(CC(=O)N(Cc1ccc2ccccc2c1)c1ccccc1)c1ncccn1
InChIInChI=1S/C24H19N3O2/c28-22(24-25-13-6-14-26-24)16-23(29)27(21-9-2-1-3-10-21)17-18-11-12-19-7-4-5-8-20(19)15-18/h1-15H,16-17H2
InChIKeyRUVGGCVQWUYRIZ-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.44
Rot. Bonds6

About N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide

N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide (PubChem CID 504994) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide
PubChem CID504994
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide
SMILESO=C(CC(=O)N(Cc1ccc2ccccc2c1)c1ccccc1)c1ncccn1
InChIInChI=1S/C24H19N3O2/c28-22(24-25-13-6-14-26-24)16-23(29)27(21-9-2-1-3-10-21)17-18-11-12-19-7-4-5-8-20(19)15-18/h1-15H,16-17H2
InChIKeyRUVGGCVQWUYRIZ-UHFFFAOYSA-N
XLogP4.44
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide 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-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-(3-pyrimidin-2-ylprop-2-ynyl)acetamide
CID 168286208
N-((1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methyl)acetamide
CID 44551057
US9815796, Example 102
CID 139268033
2-[4-(6-Naphthalen-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 172434590
3-[2-Naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid
CID 504974
N-(4-Dimethylsulfamoyl-phenyl)-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 504977
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505033
N-(3-Diethylsulfamoyl-phenyl)-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 505049
N-[3-(4-methylthiazol-2-yl)phenyl]-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505096
2-Chloro-4-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 505122
6-carbamimidoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide
CID 70208567
1-(7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-3-(naphthalen-1-yl)propan-1-one
CID 72719452

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide?
The IUPAC name of N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide (CID 504994) is N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide is O=C(CC(=O)N(Cc1ccc2ccccc2c1)c1ccccc1)c1ncccn1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide?
The InChIKey is RUVGGCVQWUYRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-22(24-25-13-6-14-26-24)16-23(29)27(21-9-2-1-3-10-21)17-18-11-12-19-7-4-5-8-20(19)15-18/h1-15H,16-17H2.
What are the key properties of N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide?
N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide has a molecular weight of 381.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 504994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).