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

C13H15N3O3 — CID 13246858

IUPAC2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)(C(N)=O)N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C13H15N3O3/c1-7(2)13(3,12(14)19)16-10(17)8-5-4-6-15-9(8)11(16)18/h4-7H,1-3H3,(H2,14,19)
InChIKeyGMRXXZCTLUHIJZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.58
Rot. Bonds3

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

2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide (PubChem CID 13246858) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide
PubChem CID13246858
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)(C(N)=O)N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C13H15N3O3/c1-7(2)13(3,12(14)19)16-10(17)8-5-4-6-15-9(8)11(16)18/h4-7H,1-3H3,(H2,14,19)
InChIKeyGMRXXZCTLUHIJZ-UHFFFAOYSA-N
XLogP0.58
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bupicomide
CID 31447
Kdoam-25
CID 91810435
6-Methylnicotinamide
CID 96351
2-Methylnicotinamide
CID 12243705
Pkn1/2-IN-1
CID 23585102
1-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585245
N-(2,5-difluorophenyl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 1502163
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156
2-(2-(Pyridin-2-yl)ethyl)-1H-isoindole-1,3(2H)-dione
CID 231380
5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione
CID 72829
3,4-Pyridinedicarboximide
CID 72926
4-propionyl-N-(3-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 4681816

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide?
The IUPAC name of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide (CID 13246858) is 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide.
What is the SMILES notation for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide?
The canonical SMILES for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide is CC(C)C(C)(C(N)=O)N1C(=O)c2cccnc2C1=O.
What is the InChIKey of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide?
The InChIKey is GMRXXZCTLUHIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7(2)13(3,12(14)19)16-10(17)8-5-4-6-15-9(8)11(16)18/h4-7H,1-3H3,(H2,14,19).
What are the key properties of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide?
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide has a molecular weight of 261.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2,3-dimethylbutanamide is sourced from PubChem (CID 13246858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).