N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide

C19H19N3O4 — CID 137247136

IUPACN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide
SMILESCCn1cc2nc(OC)c(CNC(=O)C(=O)c3ccccc3)cc2c1O
InChIInChI=1S/C19H19N3O4/c1-3-22-11-15-14(19(22)25)9-13(18(21-15)26-2)10-20-17(24)16(23)12-7-5-4-6-8-12/h4-9,11,25H,3,10H2,1-2H3,(H,20,24)
InChIKeyVWGATUUTTDPRLY-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.27
Rot. Bonds6

About N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide

N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide (PubChem CID 137247136) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide
PubChem CID137247136
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide
SMILESCCn1cc2nc(OC)c(CNC(=O)C(=O)c3ccccc3)cc2c1O
InChIInChI=1S/C19H19N3O4/c1-3-22-11-15-14(19(22)25)9-13(18(21-15)26-2)10-20-17(24)16(23)12-7-5-4-6-8-12/h4-9,11,25H,3,10H2,1-2H3,(H,20,24)
InChIKeyVWGATUUTTDPRLY-UHFFFAOYSA-N
XLogP2.27
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide?
The IUPAC name of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide (CID 137247136) is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide?
The canonical SMILES for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide is CCn1cc2nc(OC)c(CNC(=O)C(=O)c3ccccc3)cc2c1O.
What is the InChIKey of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide?
The InChIKey is VWGATUUTTDPRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-22-11-15-14(19(22)25)9-13(18(21-15)26-2)10-20-17(24)16(23)12-7-5-4-6-8-12/h4-9,11,25H,3,10H2,1-2H3,(H,20,24).
What are the key properties of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide?
N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide has a molecular weight of 353.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide is sourced from PubChem (CID 137247136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).