2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

C18H17N3O5 — CID 71708390

IUPAC2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cn1C
InChIInChI=1S/C18H17N3O5/c1-10-6-14(22)15(8-20(10)2)26-9-16(23)19-11-4-5-12-13(7-11)18(25)21(3)17(12)24/h4-8H,9H2,1-3H3,(H,19,23)
InChIKeyBBTAYEUPHFKHGI-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.94
Rot. Bonds4

About 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 71708390) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID71708390
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cn1C
InChIInChI=1S/C18H17N3O5/c1-10-6-14(22)15(8-20(10)2)26-9-16(23)19-11-4-5-12-13(7-11)18(25)21(3)17(12)24/h4-8H,9H2,1-3H3,(H,19,23)
InChIKeyBBTAYEUPHFKHGI-UHFFFAOYSA-N
XLogP0.94
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26907016
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide
CID 125431781
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 31060775
2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32744375
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 71701696
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 55378773
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 32690095
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 32744629
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 32683930
2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 60661183

Frequently Asked Questions

What is the IUPAC name of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (CID 71708390) is 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cn1C.
What is the InChIKey of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is BBTAYEUPHFKHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-10-6-14(22)15(8-20(10)2)26-9-16(23)19-11-4-5-12-13(7-11)18(25)21(3)17(12)24/h4-8H,9H2,1-3H3,(H,19,23).
What are the key properties of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 355.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 71708390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).