2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide

C18H17N3O3 — CID 2937349

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide
SMILESCC(C)C(C(=O)Nc1cccnc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H17N3O3/c1-11(2)15(16(22)20-12-6-5-9-19-10-12)21-17(23)13-7-3-4-8-14(13)18(21)24/h3-11,15H,1-2H3,(H,20,22)
InChIKeyLAZNGQBELHXOKJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.34
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide (PubChem CID 2937349) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide
PubChem CID2937349
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide
SMILESCC(C)C(C(=O)Nc1cccnc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H17N3O3/c1-11(2)15(16(22)20-12-6-5-9-19-10-12)21-17(23)13-7-3-4-8-14(13)18(21)24/h3-11,15H,1-2H3,(H,20,22)
InChIKeyLAZNGQBELHXOKJ-UHFFFAOYSA-N
XLogP2.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.34
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 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide (CID 2937349) is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide is CC(C)C(C(=O)Nc1cccnc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide?
The InChIKey is LAZNGQBELHXOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11(2)15(16(22)20-12-6-5-9-19-10-12)21-17(23)13-7-3-4-8-14(13)18(21)24/h3-11,15H,1-2H3,(H,20,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide?
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide has a molecular weight of 323.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 2937349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).