3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C20H20N4O3 — CID 113202630

IUPAC3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCN1C(=O)c2cccnc2C1=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H20N4O3/c25-17(22-14-5-7-15(8-6-14)23-11-1-2-12-23)9-13-24-19(26)16-4-3-10-21-18(16)20(24)27/h3-8,10H,1-2,9,11-13H2,(H,22,25)
InChIKeyBANNLLMEDNXIAD-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.31
Rot. Bonds5

About 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 113202630) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID113202630
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCN1C(=O)c2cccnc2C1=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H20N4O3/c25-17(22-14-5-7-15(8-6-14)23-11-1-2-12-23)9-13-24-19(26)16-4-3-10-21-18(16)20(24)27/h3-8,10H,1-2,9,11-13H2,(H,22,25)
InChIKeyBANNLLMEDNXIAD-UHFFFAOYSA-N
XLogP2.31
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113202632
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-propan-2-ylphenyl)propanamide
CID 113202585
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
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202650
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(azepan-1-yl)phenyl]propanamide
CID 9115899
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide
CID 113201904
N-(5-bromo-1,3-thiazol-2-yl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 15993223
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
CID 71946746

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 113202630) is 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide is O=C(CCN1C(=O)c2cccnc2C1=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is BANNLLMEDNXIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-17(22-14-5-7-15(8-6-14)23-11-1-2-12-23)9-13-24-19(26)16-4-3-10-21-18(16)20(24)27/h3-8,10H,1-2,9,11-13H2,(H,22,25).
What are the key properties of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 364.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 113202630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).