2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide

C22H17N3O4 — CID 29129723

IUPAC2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
SMILESCOc1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccccn4)cc3C2=O)cc1
InChIInChI=1S/C22H17N3O4/c1-29-16-8-5-14(6-9-16)13-25-21(27)17-10-7-15(12-18(17)22(25)28)20(26)24-19-4-2-3-11-23-19/h2-12H,13H2,1H3,(H,23,24,26)
InChIKeyJGLILZWAWUAHSI-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.14
Rot. Bonds5

About 2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide

2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide (PubChem CID 29129723) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
PubChem CID29129723
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
SMILESCOc1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccccn4)cc3C2=O)cc1
InChIInChI=1S/C22H17N3O4/c1-29-16-8-5-14(6-9-16)13-25-21(27)17-10-7-15(12-18(17)22(25)28)20(26)24-19-4-2-3-11-23-19/h2-12H,13H2,1H3,(H,23,24,26)
InChIKeyJGLILZWAWUAHSI-UHFFFAOYSA-N
XLogP3.14
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 35034064
4-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 108753883
2-benzyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
CID 35031539
2-[(4-methoxyphenyl)methyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108751315
2-[(4-methoxyphenyl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108760646
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60519196
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108760495
ethyl 5-[[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 108761504
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 32700452
2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
CID 29133038
2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
CID 2834960
2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide
CID 69276968

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide (CID 29129723) is 2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide is COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccccn4)cc3C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide?
The InChIKey is JGLILZWAWUAHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-29-16-8-5-14(6-9-16)13-25-21(27)17-10-7-15(12-18(17)22(25)28)20(26)24-19-4-2-3-11-23-19/h2-12H,13H2,1H3,(H,23,24,26).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide?
2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide is sourced from PubChem (CID 29129723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).