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

C21H15N3O3 — CID 168517912

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H15N3O3/c25-19(23-13-14-7-5-6-12-22-14)17-10-3-4-11-18(17)24-20(26)15-8-1-2-9-16(15)21(24)27/h1-12H,13H2,(H,23,25)
InChIKeyRCSOZZAQAYATAR-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.81
Rot. Bonds4

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

2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 168517912) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID168517912
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H15N3O3/c25-19(23-13-14-7-5-6-12-22-14)17-10-3-4-11-18(17)24-20(26)15-8-1-2-9-16(15)21(24)27/h1-12H,13H2,(H,23,25)
InChIKeyRCSOZZAQAYATAR-UHFFFAOYSA-N
XLogP2.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.81
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-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 168517927
2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121856
2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 46862747
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121857
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414396
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935
N-(pyridin-2-ylmethyl)-2-[3-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102035338

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 168517912) is 2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is RCSOZZAQAYATAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-19(23-13-14-7-5-6-12-22-14)17-10-3-4-11-18(17)24-20(26)15-8-1-2-9-16(15)21(24)27/h1-12H,13H2,(H,23,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 357.37 g/mol, XLogP of 2.81, 4 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-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 168517912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).