3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide

C16H13N3O3 — CID 653111

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccn1
InChIInChI=1S/C16H13N3O3/c20-14(18-13-7-3-4-9-17-13)8-10-19-15(21)11-5-1-2-6-12(11)16(19)22/h1-7,9H,8,10H2,(H,17,18,20)
InChIKeyAXAYDJJIPDVHPW-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.71
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide

3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide (PubChem CID 653111) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide
PubChem CID653111
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccn1
InChIInChI=1S/C16H13N3O3/c20-14(18-13-7-3-4-9-17-13)8-10-19-15(21)11-5-1-2-6-12(11)16(19)22/h1-7,9H,8,10H2,(H,17,18,20)
InChIKeyAXAYDJJIPDVHPW-UHFFFAOYSA-N
XLogP1.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-2-yl)benzamide
CID 219990
4-propan-2-yl-N-pyridin-2-ylbenzamide
CID 898760
4-Methyl-2-phthalimidopyridine
CID 10999049
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
1-(5-Chloro-2-pyridyl)-3-[2-(1,3-dioxoisoindolin-2-yl)ethyl]thiourea
CID 3001144
N'-(Pyrrolidino(2,1-B)Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea
CID 445840
5H-Benzo(c)(1,8)naphthyridin-6-one
CID 12342815
2-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 4436165
4-(2-Cyclohexylaminopyridin-4-yl)-6-(piperazin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 46901212
2-(Pyrimidin-2-yl)isoindoline-1,3-dione
CID 660266
N-(pyridin-2-yl)biphenyl-4-carboxamide
CID 669449
N-(pyridin-2-ylcarbamoyl)benzamide
CID 2985532

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide (CID 653111) is 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccn1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is AXAYDJJIPDVHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-14(18-13-7-3-4-9-17-13)8-10-19-15(21)11-5-1-2-6-12(11)16(19)22/h1-7,9H,8,10H2,(H,17,18,20).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide?
3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 295.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 653111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).