3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide

C23H19N3O4 — CID 90596248

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C23H19N3O4/c27-20(11-13-26-22(28)18-8-1-2-9-19(18)23(26)29)25-15-16-6-5-7-17(14-16)30-21-10-3-4-12-24-21/h1-10,12,14H,11,13,15H2,(H,25,27)
InChIKeyCAWGHXKRYZKQRC-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.18
Rot. Bonds7

About 3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide (PubChem CID 90596248) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
PubChem CID90596248
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C23H19N3O4/c27-20(11-13-26-22(28)18-8-1-2-9-19(18)23(26)29)25-15-16-6-5-7-17(14-16)30-21-10-3-4-12-24-21/h1-10,12,14H,11,13,15H2,(H,25,27)
InChIKeyCAWGHXKRYZKQRC-UHFFFAOYSA-N
XLogP3.18
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(difluoromethoxy)phenyl]methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 47087962
3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 72719244
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596092
3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzoic acid
CID 108767672
2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596320
1-methyl-6-oxo-N-[(3-pyridin-2-yloxyphenyl)methyl]pyridazine-3-carboxamide
CID 90596207
3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide
CID 46593452
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596103
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 113202525

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide (CID 90596248) is 3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NCc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide?
The InChIKey is CAWGHXKRYZKQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-20(11-13-26-22(28)18-8-1-2-9-19(18)23(26)29)25-15-16-6-5-7-17(14-16)30-21-10-3-4-12-24-21/h1-10,12,14H,11,13,15H2,(H,25,27).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide has a molecular weight of 401.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 90596248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).