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

C24H21N3O3 — CID 155520061

IUPAC4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
SMILESCc1cccc2c1C(=O)N(CCCC(=O)Nc1ccc(-c3ccccc3)cn1)C2=O
InChIInChI=1S/C24H21N3O3/c1-16-7-5-10-19-22(16)24(30)27(23(19)29)14-6-11-21(28)26-20-13-12-18(15-25-20)17-8-3-2-4-9-17/h2-5,7-10,12-13,15H,6,11,14H2,1H3,(H,25,26,28)
InChIKeyASANKRKOQNEUCT-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.07
Rot. Bonds6

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

4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide (PubChem CID 155520061) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
PubChem CID155520061
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
SMILESCc1cccc2c1C(=O)N(CCCC(=O)Nc1ccc(-c3ccccc3)cn1)C2=O
InChIInChI=1S/C24H21N3O3/c1-16-7-5-10-19-22(16)24(30)27(23(19)29)14-6-11-21(28)26-20-13-12-18(15-25-20)17-8-3-2-4-9-17/h2-5,7-10,12-13,15H,6,11,14H2,1H3,(H,25,26,28)
InChIKeyASANKRKOQNEUCT-UHFFFAOYSA-N
XLogP4.07
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.07
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-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide (CID 155520061) is 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide is Cc1cccc2c1C(=O)N(CCCC(=O)Nc1ccc(-c3ccccc3)cn1)C2=O.
What is the InChIKey of 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
The InChIKey is ASANKRKOQNEUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-7-5-10-19-22(16)24(30)27(23(19)29)14-6-11-21(28)26-20-13-12-18(15-25-20)17-8-3-2-4-9-17/h2-5,7-10,12-13,15H,6,11,14H2,1H3,(H,25,26,28).
What are the key properties of 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide has a molecular weight of 399.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide is sourced from PubChem (CID 155520061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).