4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide

C24H21N3O5 — CID 55661422

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H21N3O5/c1-31-16-10-12-17(13-11-16)32-22-20(8-4-14-25-22)26-21(28)9-5-15-27-23(29)18-6-2-3-7-19(18)24(27)30/h2-4,6-8,10-14H,5,9,15H2,1H3,(H,26,28)
InChIKeyVGUWUQFBKSHZJS-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.90
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide (PubChem CID 55661422) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide
PubChem CID55661422
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H21N3O5/c1-31-16-10-12-17(13-11-16)32-22-20(8-4-14-25-22)26-21(28)9-5-15-27-23(29)18-6-2-3-7-19(18)24(27)30/h2-4,6-8,10-14H,5,9,15H2,1H3,(H,26,28)
InChIKeyVGUWUQFBKSHZJS-UHFFFAOYSA-N
XLogP3.90
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.90
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

4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 55661128
N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578
4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 8503422
4-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108538869
3-(5-chlorothiophen-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide
CID 55777696
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55763290
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methoxy-5-methylphenyl)butanamide
CID 4604522
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenoxy-3-pyridinyl)butanamide
CID 43068531
methyl 3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]thiophene-2-carboxylate
CID 17426187
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide
CID 108537858
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 55763738

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide (CID 55661422) is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide is COc1ccc(Oc2ncccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide?
The InChIKey is VGUWUQFBKSHZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-31-16-10-12-17(13-11-16)32-22-20(8-4-14-25-22)26-21(28)9-5-15-27-23(29)18-6-2-3-7-19(18)24(27)30/h2-4,6-8,10-14H,5,9,15H2,1H3,(H,26,28).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide has a molecular weight of 431.45 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide is sourced from PubChem (CID 55661422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).