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

C23H19N3O3 — CID 110634651

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C23H19N3O3/c27-21(25-20-13-12-17(15-24-20)16-7-2-1-3-8-16)11-6-14-26-22(28)18-9-4-5-10-19(18)23(26)29/h1-5,7-10,12-13,15H,6,11,14H2,(H,24,25,27)
InChIKeyMATADYXCSRDSDJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.76
Rot. Bonds6

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

4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide (PubChem CID 110634651) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
PubChem CID110634651
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C23H19N3O3/c27-21(25-20-13-12-17(15-24-20)16-7-2-1-3-8-16)11-6-14-26-22(28)18-9-4-5-10-19(18)23(26)29/h1-5,7-10,12-13,15H,6,11,14H2,(H,24,25,27)
InChIKeyMATADYXCSRDSDJ-UHFFFAOYSA-N
XLogP3.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.76
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-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide (CID 110634651) is 4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
The InChIKey is MATADYXCSRDSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-21(25-20-13-12-17(15-24-20)16-7-2-1-3-8-16)11-6-14-26-22(28)18-9-4-5-10-19(18)23(26)29/h1-5,7-10,12-13,15H,6,11,14H2,(H,24,25,27).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide has a molecular weight of 385.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide is sourced from PubChem (CID 110634651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).