5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide

C23H19N3O5 — CID 2092122

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cn1
InChIInChI=1S/C23H19N3O5/c1-30-19-9-7-14(13-26-22(28)16-5-3-4-6-17(16)23(26)29)11-18(19)21(27)25-15-8-10-20(31-2)24-12-15/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyFQDAFXQNCJCREI-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.15
Rot. Bonds6

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 2092122) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID2092122
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cn1
InChIInChI=1S/C23H19N3O5/c1-30-19-9-7-14(13-26-22(28)16-5-3-4-6-17(16)23(26)29)11-18(19)21(27)25-15-8-10-20(31-2)24-12-15/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyFQDAFXQNCJCREI-UHFFFAOYSA-N
XLogP3.15
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide (CID 2092122) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cn1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is FQDAFXQNCJCREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-30-19-9-7-14(13-26-22(28)16-5-3-4-6-17(16)23(26)29)11-18(19)21(27)25-15-8-10-20(31-2)24-12-15/h3-12H,13H2,1-2H3,(H,25,27).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 417.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 2092122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).