2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide

C17H15N3O3 — CID 87041147

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(Cc1ccccn1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N3O3/c1-19(10-12-6-4-5-9-18-12)15(21)11-20-16(22)13-7-2-3-8-14(13)17(20)23/h2-9H,10-11H2,1H3
InChIKeyVRWPWHOPECFCRS-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.34
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 87041147) 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-methyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID87041147
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(Cc1ccccn1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N3O3/c1-19(10-12-6-4-5-9-18-12)15(21)11-20-16(22)13-7-2-3-8-14(13)17(20)23/h2-9H,10-11H2,1H3
InChIKeyVRWPWHOPECFCRS-UHFFFAOYSA-N
XLogP1.34
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736
2,2-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]-4-oxobutanoic acid
CID 65302187
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 63309527
2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 26292160
5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 43565136
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide
CID 166231237
2-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 154728853
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119655397
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108732474

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide (CID 87041147) is 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide is CN(Cc1ccccn1)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is VRWPWHOPECFCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-19(10-12-6-4-5-9-18-12)15(21)11-20-16(22)13-7-2-3-8-14(13)17(20)23/h2-9H,10-11H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 309.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 87041147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).