2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide

C15H12N4O4 — CID 122301544

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
SMILESCOc1ncc(NC(=O)CN2C(=O)c3ccccc3C2=O)cn1
InChIInChI=1S/C15H12N4O4/c1-23-15-16-6-9(7-17-15)18-12(20)8-19-13(21)10-4-2-3-5-11(10)14(19)22/h2-7H,8H2,1H3,(H,18,20)
InChIKeyZAOBMVYAIVWPEX-UHFFFAOYSA-N
MW312.29 g/mol
LogP0.72
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide (PubChem CID 122301544) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
PubChem CID122301544
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
SMILESCOc1ncc(NC(=O)CN2C(=O)c3ccccc3C2=O)cn1
InChIInChI=1S/C15H12N4O4/c1-23-15-16-6-9(7-17-15)18-12(20)8-19-13(21)10-4-2-3-5-11(10)14(19)22/h2-7H,8H2,1H3,(H,18,20)
InChIKeyZAOBMVYAIVWPEX-UHFFFAOYSA-N
XLogP0.72
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 50.72
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-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
2-(1,3-dioxoisoindol-2-yl)-N-(5-fluoro-2-methoxyphenyl)acetamide
CID 110776571
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4189128
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
2-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122297706
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 1248714
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767299
N-(2-amino-4,5-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867086
2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728536

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide (CID 122301544) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide is COc1ncc(NC(=O)CN2C(=O)c3ccccc3C2=O)cn1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide?
The InChIKey is ZAOBMVYAIVWPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c1-23-15-16-6-9(7-17-15)18-12(20)8-19-13(21)10-4-2-3-5-11(10)14(19)22/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide has a molecular weight of 312.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxypyrimidin-5-yl)acetamide is sourced from PubChem (CID 122301544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).