2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide

C16H17N5O3 — CID 2998629

IUPAC2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide
SMILESCC(C)CC(C(=O)Nn1cnnc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H17N5O3/c1-10(2)7-13(14(22)19-20-8-17-18-9-20)21-15(23)11-5-3-4-6-12(11)16(21)24/h3-6,8-10,13H,7H2,1-2H3,(H,19,22)
InChIKeyPYGXNZKCXFOZKY-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.06
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide

2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide (PubChem CID 2998629) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide
PubChem CID2998629
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide
SMILESCC(C)CC(C(=O)Nn1cnnc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H17N5O3/c1-10(2)7-13(14(22)19-20-8-17-18-9-20)21-15(23)11-5-3-4-6-12(11)16(21)24/h3-6,8-10,13H,7H2,1-2H3,(H,19,22)
InChIKeyPYGXNZKCXFOZKY-UHFFFAOYSA-N
XLogP1.06
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide (CID 2998629) is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide is CC(C)CC(C(=O)Nn1cnnc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide?
The InChIKey is PYGXNZKCXFOZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10(2)7-13(14(22)19-20-8-17-18-9-20)21-15(23)11-5-3-4-6-12(11)16(21)24/h3-6,8-10,13H,7H2,1-2H3,(H,19,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide?
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide has a molecular weight of 327.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1,2,4-triazol-4-yl)pentanamide is sourced from PubChem (CID 2998629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).