2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide

C17H15N3O3 — CID 130468964

IUPAC2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide
SMILESCN(C(=O)c1ccccc1C=O)C1(c2ncccn2)CC(=O)C1
InChIInChI=1S/C17H15N3O3/c1-20(15(23)14-6-3-2-5-12(14)11-21)17(9-13(22)10-17)16-18-7-4-8-19-16/h2-8,11H,9-10H2,1H3
InChIKeyGOSGCACHMTXSBL-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.62
Rot. Bonds4

About 2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide

2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide (PubChem CID 130468964) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide.

Molecular Properties

Compound Name2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide
PubChem CID130468964
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide
SMILESCN(C(=O)c1ccccc1C=O)C1(c2ncccn2)CC(=O)C1
InChIInChI=1S/C17H15N3O3/c1-20(15(23)14-6-3-2-5-12(14)11-21)17(9-13(22)10-17)16-18-7-4-8-19-16/h2-8,11H,9-10H2,1H3
InChIKeyGOSGCACHMTXSBL-UHFFFAOYSA-N
XLogP1.62
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide?
The IUPAC name of 2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide (CID 130468964) is 2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide.
What is the SMILES notation for 2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide?
The canonical SMILES for 2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide is CN(C(=O)c1ccccc1C=O)C1(c2ncccn2)CC(=O)C1.
What is the InChIKey of 2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide?
The InChIKey is GOSGCACHMTXSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-20(15(23)14-6-3-2-5-12(14)11-21)17(9-13(22)10-17)16-18-7-4-8-19-16/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide?
2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide has a molecular weight of 309.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-methyl-N-(3-oxo-1-pyrimidin-2-ylcyclobutyl)benzamide is sourced from PubChem (CID 130468964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).