4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide

C17H15N3O3 — CID 969698

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1
InChIInChI=1S/C17H15N3O3/c1-11-8-9-18-14(10-11)19-17(23)12-2-4-13(5-3-12)20-15(21)6-7-16(20)22/h2-5,8-10H,6-7H2,1H3,(H,18,19,23)
InChIKeyZXCNTSLLYWLKRZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.30
Rot. Bonds3

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 969698) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID969698
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1
InChIInChI=1S/C17H15N3O3/c1-11-8-9-18-14(10-11)19-17(23)12-2-4-13(5-3-12)20-15(21)6-7-16(20)22/h2-5,8-10H,6-7H2,1H3,(H,18,19,23)
InChIKeyZXCNTSLLYWLKRZ-UHFFFAOYSA-N
XLogP2.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
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 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide (CID 969698) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is ZXCNTSLLYWLKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-8-9-18-14(10-11)19-17(23)12-2-4-13(5-3-12)20-15(21)6-7-16(20)22/h2-5,8-10H,6-7H2,1H3,(H,18,19,23).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 309.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 969698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).