2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide

C16H14N4O3 — CID 142146811

IUPAC2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide
SMILESCC(=O)c1cccc2c1CN(CC(=O)Nc1ccncn1)C2=O
InChIInChI=1S/C16H14N4O3/c1-10(21)11-3-2-4-12-13(11)7-20(16(12)23)8-15(22)19-14-5-6-17-9-18-14/h2-6,9H,7-8H2,1H3,(H,17,18,19,22)
InChIKeyZHHVEBRWAFTDPW-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.27
Rot. Bonds4

About 2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide

2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide (PubChem CID 142146811) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide.

Molecular Properties

Compound Name2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide
PubChem CID142146811
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide
SMILESCC(=O)c1cccc2c1CN(CC(=O)Nc1ccncn1)C2=O
InChIInChI=1S/C16H14N4O3/c1-10(21)11-3-2-4-12-13(11)7-20(16(12)23)8-15(22)19-14-5-6-17-9-18-14/h2-6,9H,7-8H2,1H3,(H,17,18,19,22)
InChIKeyZHHVEBRWAFTDPW-UHFFFAOYSA-N
XLogP1.27
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide?
The IUPAC name of 2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide (CID 142146811) is 2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide.
What is the SMILES notation for 2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide?
The canonical SMILES for 2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide is CC(=O)c1cccc2c1CN(CC(=O)Nc1ccncn1)C2=O.
What is the InChIKey of 2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide?
The InChIKey is ZHHVEBRWAFTDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10(21)11-3-2-4-12-13(11)7-20(16(12)23)8-15(22)19-14-5-6-17-9-18-14/h2-6,9H,7-8H2,1H3,(H,17,18,19,22).
What are the key properties of 2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide?
2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide has a molecular weight of 310.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-acetyl-3-oxo-1H-isoindol-2-yl)-N-pyrimidin-4-ylacetamide is sourced from PubChem (CID 142146811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).