2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide

C17H15N3O3 — CID 4679028

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N3O3/c1-10-6-5-9-18-14(10)19-15(21)11(2)20-16(22)12-7-3-4-8-13(12)17(20)23/h3-9,11H,1-2H3,(H,18,19,21)
InChIKeyIOLBMBBSJAUMQT-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.01
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide

2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide (PubChem CID 4679028) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
PubChem CID4679028
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N3O3/c1-10-6-5-9-18-14(10)19-15(21)11(2)20-16(22)12-7-3-4-8-13(12)17(20)23/h3-9,11H,1-2H3,(H,18,19,21)
InChIKeyIOLBMBBSJAUMQT-UHFFFAOYSA-N
XLogP2.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.01
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-yl)benzamide
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
4-(2-Cyclohexylaminopyridin-4-yl)-6-(piperazin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 46901212
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 118174089
N-[[2-[(diaminomethylideneamino)methyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473424
2-(Pyrimidin-2-yl)isoindoline-1,3-dione
CID 660266
N-(pyridin-2-ylcarbamoyl)benzamide
CID 2985532
N-(3-Methyl-2-pyridinyl)benzamide
CID 90211

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide (CID 4679028) is 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide is Cc1cccnc1NC(=O)C(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The InChIKey is IOLBMBBSJAUMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-6-5-9-18-14(10)19-15(21)11(2)20-16(22)12-7-3-4-8-13(12)17(20)23/h3-9,11H,1-2H3,(H,18,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide has a molecular weight of 309.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 4679028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).