N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

C15H10BrN3O3 — CID 2994363

IUPACN-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cn3)cc2C1=O
InChIInChI=1S/C15H10BrN3O3/c1-19-14(21)10-4-2-8(6-11(10)15(19)22)13(20)18-12-5-3-9(16)7-17-12/h2-7H,1H3,(H,17,18,20)
InChIKeyNMNDRVOXVGOCDG-UHFFFAOYSA-N
MW360.17 g/mol
LogP2.32
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 2994363) has the molecular formula C15H10BrN3O3 and a molecular weight of 360.17 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID2994363
Molecular FormulaC15H10BrN3O3
Molecular Weight360.17 g/mol
Exact Mass358.99
IUPAC NameN-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cn3)cc2C1=O
InChIInChI=1S/C15H10BrN3O3/c1-19-14(21)10-4-2-8(6-11(10)15(19)22)13(20)18-12-5-3-9(16)7-17-12/h2-7H,1H3,(H,17,18,20)
InChIKeyNMNDRVOXVGOCDG-UHFFFAOYSA-N
XLogP2.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 52.32
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 N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 2994363) is N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cn3)cc2C1=O.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is NMNDRVOXVGOCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O3/c1-19-14(21)10-4-2-8(6-11(10)15(19)22)13(20)18-12-5-3-9(16)7-17-12/h2-7H,1H3,(H,17,18,20).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 360.17 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 2994363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).