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

C17H15N3O3 — CID 113082971

IUPACN-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(N2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C17H15N3O3/c1-10(2)15(21)19-11-5-3-6-12(9-11)20-16(22)13-7-4-8-18-14(13)17(20)23/h3-10H,1-2H3,(H,19,21)
InChIKeyBHGFLMLIDSYFKV-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.48
Rot. Bonds3

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

N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide (PubChem CID 113082971) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide
PubChem CID113082971
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC NameN-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(N2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C17H15N3O3/c1-10(2)15(21)19-11-5-3-6-12(9-11)20-16(22)13-7-4-8-18-14(13)17(20)23/h3-10H,1-2H3,(H,19,21)
InChIKeyBHGFLMLIDSYFKV-UHFFFAOYSA-N
XLogP2.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.48
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-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide
CID 113082993
tert-butyl N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]carbamate
CID 113083018
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide
CID 113083009
1-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-propan-2-ylurea
CID 113082952
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 56507418
N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide
CID 839386
methyl 2-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenoxy]acetate
CID 9324089
6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 714778
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide
CID 56507324
6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 17255818
2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide
CID 56508671
N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide
CID 113082918

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide (CID 113082971) is N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(N2C(=O)c3cccnc3C2=O)c1.
What is the InChIKey of N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide?
The InChIKey is BHGFLMLIDSYFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10(2)15(21)19-11-5-3-6-12(9-11)20-16(22)13-7-4-8-18-14(13)17(20)23/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide?
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide has a molecular weight of 309.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 113082971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).