N-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

C17H14BrN3O3 — CID 3241827

IUPACN-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cn1
InChIInChI=1S/C17H14BrN3O3/c18-11-7-8-14(19-10-11)20-15(22)6-3-9-21-16(23)12-4-1-2-5-13(12)17(21)24/h1-2,4-5,7-8,10H,3,6,9H2,(H,19,20,22)
InChIKeySRAZZKRKJJBGBT-UHFFFAOYSA-N
MW388.22 g/mol
LogP2.86
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

N-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 3241827) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID3241827
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC NameN-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cn1
InChIInChI=1S/C17H14BrN3O3/c18-11-7-8-14(19-10-11)20-15(22)6-3-9-21-16(23)12-4-1-2-5-13(12)17(21)24/h1-2,4-5,7-8,10H,3,6,9H2,(H,19,20,22)
InChIKeySRAZZKRKJJBGBT-UHFFFAOYSA-N
XLogP2.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 52.86
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)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 3241827) is N-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is SRAZZKRKJJBGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c18-11-7-8-14(19-10-11)20-15(22)6-3-9-21-16(23)12-4-1-2-5-13(12)17(21)24/h1-2,4-5,7-8,10H,3,6,9H2,(H,19,20,22).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-(5-bromo-2-pyridinyl)-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 388.22 g/mol, XLogP of 2.86, 5 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)-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 3241827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).