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

C18H17N3O5 — CID 113202613

IUPACN-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C18H17N3O5/c1-25-11-5-6-14(26-2)13(10-11)20-15(22)7-9-21-17(23)12-4-3-8-19-16(12)18(21)24/h3-6,8,10H,7,9H2,1-2H3,(H,20,22)
InChIKeyXQVSEJIMKMYZGD-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.72
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide (PubChem CID 113202613) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
PubChem CID113202613
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C18H17N3O5/c1-25-11-5-6-14(26-2)13(10-11)20-15(22)7-9-21-17(23)12-4-3-8-19-16(12)18(21)24/h3-6,8,10H,7,9H2,1-2H3,(H,20,22)
InChIKeyXQVSEJIMKMYZGD-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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

4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methoxy-5-methylphenyl)butanamide
CID 4604522
N-(5-chloro-2-methoxyphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201914
N-(2,5-dimethoxyphenyl)-4-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]benzenesulfonamide
CID 20914186
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113202520
N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202622
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(3-methylphenyl)propanamide
CID 113202571
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 3241935
N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide
CID 91843290
N-(2,4-dimethoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591872
N-(2-methoxy-5-methylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30430739
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 71708206

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide (CID 113202613) is N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide is COc1ccc(OC)c(NC(=O)CCN2C(=O)c3cccnc3C2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide?
The InChIKey is XQVSEJIMKMYZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-25-11-5-6-14(26-2)13(10-11)20-15(22)7-9-21-17(23)12-4-3-8-19-16(12)18(21)24/h3-6,8,10H,7,9H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide?
N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide has a molecular weight of 355.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide is sourced from PubChem (CID 113202613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).