5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide

C15H11N3O4 — CID 135273282

IUPAC5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(C(N)=O)[nH]c(=O)c1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H11N3O4/c1-7-6-10(12(16)19)17-13(20)11(7)18-14(21)8-4-2-3-5-9(8)15(18)22/h2-6H,1H3,(H2,16,19)(H,17,20)
InChIKeyPMKPZIFTAWSIDJ-UHFFFAOYSA-N
MW297.27 g/mol
LogP0.58
Rot. Bonds2

About 5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide

5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 135273282) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide
PubChem CID135273282
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(C(N)=O)[nH]c(=O)c1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H11N3O4/c1-7-6-10(12(16)19)17-13(20)11(7)18-14(21)8-4-2-3-5-9(8)15(18)22/h2-6H,1H3,(H2,16,19)(H,17,20)
InChIKeyPMKPZIFTAWSIDJ-UHFFFAOYSA-N
XLogP0.58
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide (CID 135273282) is 5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide is Cc1cc(C(N)=O)[nH]c(=O)c1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is PMKPZIFTAWSIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-7-6-10(12(16)19)17-13(20)11(7)18-14(21)8-4-2-3-5-9(8)15(18)22/h2-6H,1H3,(H2,16,19)(H,17,20).
What are the key properties of 5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 297.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-2-yl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 135273282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).