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

C21H15N3O4 — CID 113082918

IUPACN-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3C(=O)c4cccnc4C3=O)cc2)c1
InChIInChI=1S/C21H15N3O4/c1-28-16-5-2-4-13(12-16)19(25)23-14-7-9-15(10-8-14)24-20(26)17-6-3-11-22-18(17)21(24)27/h2-12H,1H3,(H,23,25)
InChIKeyLFLZLXIALHBBHR-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.14
Rot. Bonds4

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

N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide (PubChem CID 113082918) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide
PubChem CID113082918
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC NameN-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3C(=O)c4cccnc4C3=O)cc2)c1
InChIInChI=1S/C21H15N3O4/c1-28-16-5-2-4-13(12-16)19(25)23-14-7-9-15(10-8-14)24-20(26)17-6-3-11-22-18(17)21(24)27/h2-12H,1H3,(H,23,25)
InChIKeyLFLZLXIALHBBHR-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

4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide
CID 1354596
N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-4-methylbenzamide
CID 113082913
N-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-methoxybenzamide
CID 22779455
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606492
methyl 2-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenoxy]acetate
CID 9324089
1-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-propan-2-ylurea
CID 113082952
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
3-methoxy-N-(3-methoxyphenyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673404
3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 19177383
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide (CID 113082918) is N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(N3C(=O)c4cccnc4C3=O)cc2)c1.
What is the InChIKey of N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide?
The InChIKey is LFLZLXIALHBBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c1-28-16-5-2-4-13(12-16)19(25)23-14-7-9-15(10-8-14)24-20(26)17-6-3-11-22-18(17)21(24)27/h2-12H,1H3,(H,23,25).
What are the key properties of N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide?
N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide 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 N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 113082918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).