2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide

C17H15N3O3 — CID 4679028

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N3O3/c1-10-6-5-9-18-14(10)19-15(21)11(2)20-16(22)12-7-3-4-8-13(12)17(20)23/h3-9,11H,1-2H3,(H,18,19,21)
InChIKeyIOLBMBBSJAUMQT-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.01
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide

2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide (PubChem CID 4679028) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
PubChem CID4679028
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N3O3/c1-10-6-5-9-18-14(10)19-15(21)11(2)20-16(22)12-7-3-4-8-13(12)17(20)23/h3-9,11H,1-2H3,(H,18,19,21)
InChIKeyIOLBMBBSJAUMQT-UHFFFAOYSA-N
XLogP2.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.01
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)-N-(3-methyl-2-pyridinyl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide (CID 4679028) is 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide is Cc1cccnc1NC(=O)C(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The InChIKey is IOLBMBBSJAUMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-6-5-9-18-14(10)19-15(21)11(2)20-16(22)12-7-3-4-8-13(12)17(20)23/h3-9,11H,1-2H3,(H,18,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide has a molecular weight of 309.32 g/mol, XLogP of 2.01, 3 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)-N-(3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 4679028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).