4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide

C21H15N3O4 — CID 1354596

IUPAC4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3C(=O)c4cccnc4C3=O)cc2)cc1
InChIInChI=1S/C21H15N3O4/c1-28-16-10-6-14(7-11-16)23-19(25)13-4-8-15(9-5-13)24-20(26)17-3-2-12-22-18(17)21(24)27/h2-12H,1H3,(H,23,25)
InChIKeyJCCKSFCOSWGVDG-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.14
Rot. Bonds4

About 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide

4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide (PubChem CID 1354596) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide
PubChem CID1354596
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3C(=O)c4cccnc4C3=O)cc2)cc1
InChIInChI=1S/C21H15N3O4/c1-28-16-10-6-14(7-11-16)23-19(25)13-4-8-15(9-5-13)24-20(26)17-3-2-12-22-18(17)21(24)27/h2-12H,1H3,(H,23,25)
InChIKeyJCCKSFCOSWGVDG-UHFFFAOYSA-N
XLogP3.14
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
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

N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide
CID 113082918
N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-4-methylbenzamide
CID 113082913
methyl 2-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenoxy]acetate
CID 9324085
N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9096856
methyl 2-[4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]phenoxy]acetate
CID 4581069
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
1-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-propan-2-ylurea
CID 113082952
2-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenoxy]acetate
CID 9324078
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55833464

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide (CID 1354596) is 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(N3C(=O)c4cccnc4C3=O)cc2)cc1.
What is the InChIKey of 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide?
The InChIKey is JCCKSFCOSWGVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c1-28-16-10-6-14(7-11-16)23-19(25)13-4-8-15(9-5-13)24-20(26)17-3-2-12-22-18(17)21(24)27/h2-12H,1H3,(H,23,25).
What are the key properties of 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide?
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide has a molecular weight of 373.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 1354596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).