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

C14H17N3O3 — CID 71946746

IUPAC3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C14H17N3O3/c1-9(2)8-16-11(18)5-7-17-13(19)10-4-3-6-15-12(10)14(17)20/h3-4,6,9H,5,7-8H2,1-2H3,(H,16,18)
InChIKeyRTDOLDRBMIWBBL-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.84
Rot. Bonds5

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

3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide (PubChem CID 71946746) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
PubChem CID71946746
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C14H17N3O3/c1-9(2)8-16-11(18)5-7-17-13(19)10-4-3-6-15-12(10)14(17)20/h3-4,6,9H,5,7-8H2,1-2H3,(H,16,18)
InChIKeyRTDOLDRBMIWBBL-UHFFFAOYSA-N
XLogP0.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide (CID 71946746) is 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCN1C(=O)c2cccnc2C1=O.
What is the InChIKey of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is RTDOLDRBMIWBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)8-16-11(18)5-7-17-13(19)10-4-3-6-15-12(10)14(17)20/h3-4,6,9H,5,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide?
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 275.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 71946746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).