N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide

C22H21N3O2 — CID 136858703

IUPACN-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
SMILESO=C(NC(Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c26-20-14-18(23-21(25-20)16-11-12-16)13-19(15-7-3-1-4-8-15)24-22(27)17-9-5-2-6-10-17/h1-10,14,16,19H,11-13H2,(H,24,27)(H,23,25,26)
InChIKeyMHQMGZFPKXSHNC-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide

N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide (PubChem CID 136858703) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
PubChem CID136858703
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
SMILESO=C(NC(Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c26-20-14-18(23-21(25-20)16-11-12-16)13-19(15-7-3-1-4-8-15)24-22(27)17-9-5-2-6-10-17/h1-10,14,16,19H,11-13H2,(H,24,27)(H,23,25,26)
InChIKeyMHQMGZFPKXSHNC-UHFFFAOYSA-N
XLogP3.36
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide 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

N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide
CID 136850324
N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
CID 136682030
N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 136858700
N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 92610348
2-cyclopropyl-6-oxo-N-[phenyl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-4-carboxamide
CID 136982840
N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 136891409
2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
CID 136816308
N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 136891499
N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide
CID 92585527
6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 136850258
2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 136850217
3-tert-butyl-1-methyl-N-[2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]pyrazole-5-carboxamide
CID 136816373

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide?
The IUPAC name of N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide (CID 136858703) is N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide.
What is the SMILES notation for N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide?
The canonical SMILES for N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide is O=C(NC(Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide?
The InChIKey is MHQMGZFPKXSHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-20-14-18(23-21(25-20)16-11-12-16)13-19(15-7-3-1-4-8-15)24-22(27)17-9-5-2-6-10-17/h1-10,14,16,19H,11-13H2,(H,24,27)(H,23,25,26).
What are the key properties of N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide?
N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide is sourced from PubChem (CID 136858703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).