4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide

C25H28N4O3 — CID 135900183

IUPAC4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1cc(-c2cc(-c3ccc(C(=O)NCCCN4CCCC4)cc3)[nH]c(=O)n2)ccc1O
InChIInChI=1S/C25H28N4O3/c1-17-15-20(9-10-23(17)30)22-16-21(27-25(32)28-22)18-5-7-19(8-6-18)24(31)26-11-4-14-29-12-2-3-13-29/h5-10,15-16,30H,2-4,11-14H2,1H3,(H,26,31)(H,27,28,32)
InChIKeyIUHPYHFPRMAQOS-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.33
Rot. Bonds7

About 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide

4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 135900183) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID135900183
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1cc(-c2cc(-c3ccc(C(=O)NCCCN4CCCC4)cc3)[nH]c(=O)n2)ccc1O
InChIInChI=1S/C25H28N4O3/c1-17-15-20(9-10-23(17)30)22-16-21(27-25(32)28-22)18-5-7-19(8-6-18)24(31)26-11-4-14-29-12-2-3-13-29/h5-10,15-16,30H,2-4,11-14H2,1H3,(H,26,31)(H,27,28,32)
InChIKeyIUHPYHFPRMAQOS-UHFFFAOYSA-N
XLogP3.33
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)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

4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 135900117
4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 59406782
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 53035860
4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 135371489
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]-N-methylbenzamide
CID 135589886
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 100585329
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 92767994

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 135900183) is 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide is Cc1cc(-c2cc(-c3ccc(C(=O)NCCCN4CCCC4)cc3)[nH]c(=O)n2)ccc1O.
What is the InChIKey of 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is IUHPYHFPRMAQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-15-20(9-10-23(17)30)22-16-21(27-25(32)28-22)18-5-7-19(8-6-18)24(31)26-11-4-14-29-12-2-3-13-29/h5-10,15-16,30H,2-4,11-14H2,1H3,(H,26,31)(H,27,28,32).
What are the key properties of 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide?
4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 135900183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).