4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C15H14N4O4 — CID 3244083

IUPAC4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)no1
InChIInChI=1S/C15H14N4O4/c1-9-8-11(18-23-9)17-12(20)5-3-7-19-14(21)10-4-2-6-16-13(10)15(19)22/h2,4,6,8H,3,5,7H2,1H3,(H,17,18,20)
InChIKeyPHSARIBUHTZJGK-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.39
Rot. Bonds5

About 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 3244083) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID3244083
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)no1
InChIInChI=1S/C15H14N4O4/c1-9-8-11(18-23-9)17-12(20)5-3-7-19-14(21)10-4-2-6-16-13(10)15(19)22/h2,4,6,8H,3,5,7H2,1H3,(H,17,18,20)
InChIKeyPHSARIBUHTZJGK-UHFFFAOYSA-N
XLogP1.39
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 3244083) is 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is Cc1cc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)no1.
What is the InChIKey of 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is PHSARIBUHTZJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-9-8-11(18-23-9)17-12(20)5-3-7-19-14(21)10-4-2-6-16-13(10)15(19)22/h2,4,6,8H,3,5,7H2,1H3,(H,17,18,20).
What are the key properties of 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 314.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 3244083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).