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

C17H15N3O3 — CID 4175653

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N3O3/c1-11-5-4-9-18-15(11)19-14(21)8-10-20-16(22)12-6-2-3-7-13(12)17(20)23/h2-7,9H,8,10H2,1H3,(H,18,19,21)
InChIKeyLYUWBXYNHZIYNP-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.01
Rot. Bonds4

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

3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide (PubChem CID 4175653) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
PubChem CID4175653
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N3O3/c1-11-5-4-9-18-15(11)19-14(21)8-10-20-16(22)12-6-2-3-7-13(12)17(20)23/h2-7,9H,8,10H2,1H3,(H,18,19,21)
InChIKeyLYUWBXYNHZIYNP-UHFFFAOYSA-N
XLogP2.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

3-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]propanamide
CID 84559542
4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide
CID 84559868
3-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide
CID 171980853
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 46651539
N-(3-methyl-2-pyridinyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 35032203
N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202622
N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110660112
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(3-methylphenyl)propanamide
CID 113202571
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide (CID 4175653) is 3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide is Cc1cccnc1NC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The InChIKey is LYUWBXYNHZIYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-5-4-9-18-15(11)19-14(21)8-10-20-16(22)12-6-2-3-7-13(12)17(20)23/h2-7,9H,8,10H2,1H3,(H,18,19,21).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide has a molecular weight of 309.32 g/mol, XLogP of 2.01, 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-(3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 4175653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).