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

C20H21N3O3 — CID 2233111

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide
SMILESCc1cccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C20H21N3O3/c1-14-8-7-11-17(21-14)22-18(24)12-3-2-6-13-23-19(25)15-9-4-5-10-16(15)20(23)26/h4-5,7-11H,2-3,6,12-13H2,1H3,(H,21,22,24)
InChIKeyYCZQZANJWBPVQY-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.19
Rot. Bonds7

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

6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide (PubChem CID 2233111) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide
PubChem CID2233111
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide
SMILESCc1cccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C20H21N3O3/c1-14-8-7-11-17(21-14)22-18(24)12-3-2-6-13-23-19(25)15-9-4-5-10-16(15)20(23)26/h4-5,7-11H,2-3,6,12-13H2,1H3,(H,21,22,24)
InChIKeyYCZQZANJWBPVQY-UHFFFAOYSA-N
XLogP3.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide (CID 2233111) is 6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide is Cc1cccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide?
The InChIKey is YCZQZANJWBPVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-8-7-11-17(21-14)22-18(24)12-3-2-6-13-23-19(25)15-9-4-5-10-16(15)20(23)26/h4-5,7-11H,2-3,6,12-13H2,1H3,(H,21,22,24).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide has a molecular weight of 351.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-2-pyridinyl)hexanamide is sourced from PubChem (CID 2233111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).