4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide

C22H17N3O3 — CID 32700452

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C22H17N3O3/c1-14-5-4-8-19(23-14)24-20(26)16-11-9-15(10-12-16)13-25-21(27)17-6-2-3-7-18(17)22(25)28/h2-12H,13H2,1H3,(H,23,24,26)
InChIKeyKAUMLXROSJVMNX-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.44
Rot. Bonds4

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 32700452) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID32700452
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C22H17N3O3/c1-14-5-4-8-19(23-14)24-20(26)16-11-9-15(10-12-16)13-25-21(27)17-6-2-3-7-18(17)22(25)28/h2-12H,13H2,1H3,(H,23,24,26)
InChIKeyKAUMLXROSJVMNX-UHFFFAOYSA-N
XLogP3.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.44
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

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60519196
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361609
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
N-(2,6-diethylphenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 31820336
N-(6-methyl-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide
CID 18107198
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylsulfanylphenyl)benzamide
CID 33012346
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36861383
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 2994520
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 33327319
2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
CID 29129723
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 32677765
3-[(3aS,4R,7R,7aR)-2-[[4-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]-1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-5-yl]propanoic acid
CID 15474467

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide (CID 32700452) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)n1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is KAUMLXROSJVMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-14-5-4-8-19(23-14)24-20(26)16-11-9-15(10-12-16)13-25-21(27)17-6-2-3-7-18(17)22(25)28/h2-12H,13H2,1H3,(H,23,24,26).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 371.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 32700452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).