4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide

C23H20N4O4 — CID 48666981

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C23H20N4O4/c1-15-13-18(31-23-24-11-2-12-25-23)7-8-19(15)26-22(30)17-5-3-16(4-6-17)14-27-20(28)9-10-21(27)29/h2-8,11-13H,9-10,14H2,1H3,(H,26,30)
InChIKeyYJBZJBXAHMSENS-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.48
Rot. Bonds6

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide (PubChem CID 48666981) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
PubChem CID48666981
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C23H20N4O4/c1-15-13-18(31-23-24-11-2-12-25-23)7-8-19(15)26-22(30)17-5-3-16(4-6-17)14-27-20(28)9-10-21(27)29/h2-8,11-13H,9-10,14H2,1H3,(H,26,30)
InChIKeyYJBZJBXAHMSENS-UHFFFAOYSA-N
XLogP3.48
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide
CID 48667099
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 60589902
1-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 119753507
3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48667487
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27781558
N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 47086337
2-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 48666589
2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide
CID 71934170
4-chloro-3-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 38956339
4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
CID 119753515
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 56530350
3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 60619705

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide (CID 48666981) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide is Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide?
The InChIKey is YJBZJBXAHMSENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-15-13-18(31-23-24-11-2-12-25-23)7-8-19(15)26-22(30)17-5-3-16(4-6-17)14-27-20(28)9-10-21(27)29/h2-8,11-13H,9-10,14H2,1H3,(H,26,30).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide has a molecular weight of 416.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide is sourced from PubChem (CID 48666981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).