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

C19H19N3O3 — CID 113202585

IUPAC3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCN2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-12(2)13-5-7-14(8-6-13)21-16(23)9-11-22-18(24)15-4-3-10-20-17(15)19(22)25/h3-8,10,12H,9,11H2,1-2H3,(H,21,23)
InChIKeyVOUXTPZKRQJEMQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.83
Rot. Bonds5

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

3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 113202585) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID113202585
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCN2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-12(2)13-5-7-14(8-6-13)21-16(23)9-11-22-18(24)15-4-3-10-20-17(15)19(22)25/h3-8,10,12H,9,11H2,1-2H3,(H,21,23)
InChIKeyVOUXTPZKRQJEMQ-UHFFFAOYSA-N
XLogP2.83
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.83
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

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-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113202630
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 71708206
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(3-methylphenyl)propanamide
CID 113202571
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
CID 71946746
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1-phenylethyl)propanamide
CID 113202514
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113202632
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202650
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202338
N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1300800
N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4604415
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide
CID 113201904

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide (CID 113202585) is 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCN2C(=O)c3cccnc3C2=O)cc1.
What is the InChIKey of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is VOUXTPZKRQJEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(2)13-5-7-14(8-6-13)21-16(23)9-11-22-18(24)15-4-3-10-20-17(15)19(22)25/h3-8,10,12H,9,11H2,1-2H3,(H,21,23).
What are the key properties of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide?
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.83, 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-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113202585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).