N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide

C18H17N3O5 — CID 113082133

IUPACN-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C18H17N3O5/c1-25-12-6-3-7-13(26-2)14(12)16(22)20-9-10-21-17(23)11-5-4-8-19-15(11)18(21)24/h3-8H,9-10H2,1-2H3,(H,20,22)
InChIKeyRSUIWXFDVZZABU-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.12
Rot. Bonds6

About N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide

N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide (PubChem CID 113082133) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide
PubChem CID113082133
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C18H17N3O5/c1-25-12-6-3-7-13(26-2)14(12)16(22)20-9-10-21-17(23)11-5-4-8-19-15(11)18(21)24/h3-8H,9-10H2,1-2H3,(H,20,22)
InChIKeyRSUIWXFDVZZABU-UHFFFAOYSA-N
XLogP1.12
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 113082138
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 113082105
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113202520
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 119105684
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-2,6-dimethoxybenzamide
CID 108538742
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-3-carboxamide
CID 121022919
phenyl N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]carbamate
CID 121022932
1-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3-phenylurea
CID 113082169
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3,3-diphenylpropanamide
CID 113082139
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3-phenylpropanamide
CID 113082146
2-(2,4-dichlorophenoxy)-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 113082149
N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202613

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide (CID 113082133) is N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCN1C(=O)c2cccnc2C1=O.
What is the InChIKey of N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide?
The InChIKey is RSUIWXFDVZZABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-25-12-6-3-7-13(26-2)14(12)16(22)20-9-10-21-17(23)11-5-4-8-19-15(11)18(21)24/h3-8H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide?
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide has a molecular weight of 355.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113082133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).