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

C21H15N3O3 — CID 113082993

IUPACN-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(N2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C21H15N3O3/c25-18(12-14-6-2-1-3-7-14)23-15-8-4-9-16(13-15)24-20(26)17-10-5-11-22-19(17)21(24)27/h1-11,13H,12H2,(H,23,25)
InChIKeyBILWJIAKLRSKCI-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.06
Rot. Bonds4

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

N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide (PubChem CID 113082993) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide
PubChem CID113082993
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC NameN-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(N2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C21H15N3O3/c25-18(12-14-6-2-1-3-7-14)23-15-8-4-9-16(13-15)24-20(26)17-10-5-11-22-19(17)21(24)27/h1-11,13H,12H2,(H,23,25)
InChIKeyBILWJIAKLRSKCI-UHFFFAOYSA-N
XLogP3.06
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.06
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-(2-fluorophenyl)acetamide
CID 113083009
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide
CID 113082971
tert-butyl N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]carbamate
CID 113083018
6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 714778
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56507447
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(3-fluorophenyl)acetamide
CID 110343512
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
methyl 2-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenoxy]acetate
CID 9324089
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56506682
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 56508207
2-(4-chlorophenyl)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide
CID 1300069
6-[4-[[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]methyl]phenyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 1306086

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide (CID 113082993) is N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cccc(N2C(=O)c3cccnc3C2=O)c1.
What is the InChIKey of N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide?
The InChIKey is BILWJIAKLRSKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-18(12-14-6-2-1-3-7-14)23-15-8-4-9-16(13-15)24-20(26)17-10-5-11-22-19(17)21(24)27/h1-11,13H,12H2,(H,23,25).
What are the key properties of N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide?
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide has a molecular weight of 357.37 g/mol, XLogP of 3.06, 4 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-phenylacetamide is sourced from PubChem (CID 113082993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).