3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide

C24H21N3O6 — CID 4792750

IUPAC3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)c(OC)c(OC)c2)cn1
InChIInChI=1S/C24H21N3O6/c1-31-19-11-14(22(28)26-16-8-9-20(32-2)25-12-16)10-15(21(19)33-3)13-27-23(29)17-6-4-5-7-18(17)24(27)30/h4-12H,13H2,1-3H3,(H,26,28)
InChIKeyFMVSGSHBMLYQGJ-UHFFFAOYSA-N
MW447.45 g/mol
LogP3.16
Rot. Bonds7

About 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide

3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 4792750) has the molecular formula C24H21N3O6 and a molecular weight of 447.45 g/mol. Its IUPAC name is 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID4792750
Molecular FormulaC24H21N3O6
Molecular Weight447.45 g/mol
Exact Mass447.14
IUPAC Name3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)c(OC)c(OC)c2)cn1
InChIInChI=1S/C24H21N3O6/c1-31-19-11-14(22(28)26-16-8-9-20(32-2)25-12-16)10-15(21(19)33-3)13-27-23(29)17-6-4-5-7-18(17)24(27)30/h4-12H,13H2,1-3H3,(H,26,28)
InChIKeyFMVSGSHBMLYQGJ-UHFFFAOYSA-N
XLogP3.16
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 4794693
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549
3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 9210823
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
3-fluoro-N-(6-methoxy-3-pyridinyl)-5-(4-phenylphenyl)benzamide
CID 11646958
[1-(azepan-1-yl)-1-oxopropan-2-yl] 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxybenzoate
CID 17460073
N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide
CID 1008664
N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3,4-dimethoxybenzamide
CID 22782209
N-(6-methoxy-3-pyridinyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257121
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 2994520
2-(2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 2677021
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide (CID 4792750) is 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)c(OC)c(OC)c2)cn1.
What is the InChIKey of 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is FMVSGSHBMLYQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6/c1-31-19-11-14(22(28)26-16-8-9-20(32-2)25-12-16)10-15(21(19)33-3)13-27-23(29)17-6-4-5-7-18(17)24(27)30/h4-12H,13H2,1-3H3,(H,26,28).
What are the key properties of 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide?
3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 447.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 4792750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).