3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide

C17H15N3O3 — CID 654298

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C17H15N3O3/c1-11-5-4-8-14(18-11)19-15(21)9-10-20-16(22)12-6-2-3-7-13(12)17(20)23/h2-8H,9-10H2,1H3,(H,18,19,21)
InChIKeyWVPNBOUXMRHSIM-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.01
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 654298) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID654298
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C17H15N3O3/c1-11-5-4-8-14(18-11)19-15(21)9-10-20-16(22)12-6-2-3-7-13(12)17(20)23/h2-8H,9-10H2,1H3,(H,18,19,21)
InChIKeyWVPNBOUXMRHSIM-UHFFFAOYSA-N
XLogP2.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
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 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide (CID 654298) is 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is WVPNBOUXMRHSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-5-4-8-14(18-11)19-15(21)9-10-20-16(22)12-6-2-3-7-13(12)17(20)23/h2-8H,9-10H2,1H3,(H,18,19,21).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 309.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 654298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).