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

C17H23N3O4 — CID 137247061

IUPACN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide
SMILESCCn1cc2nc(OC)c(CNC(=O)CC3CCCO3)cc2c1O
InChIInChI=1S/C17H23N3O4/c1-3-20-10-14-13(17(20)22)7-11(16(19-14)23-2)9-18-15(21)8-12-5-4-6-24-12/h7,10,12,22H,3-6,8-9H2,1-2H3,(H,18,21)
InChIKeyWGTILTOBWZSPMI-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.96
Rot. Bonds6

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

N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide (PubChem CID 137247061) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide
PubChem CID137247061
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide
SMILESCCn1cc2nc(OC)c(CNC(=O)CC3CCCO3)cc2c1O
InChIInChI=1S/C17H23N3O4/c1-3-20-10-14-13(17(20)22)7-11(16(19-14)23-2)9-18-15(21)8-12-5-4-6-24-12/h7,10,12,22H,3-6,8-9H2,1-2H3,(H,18,21)
InChIKeyWGTILTOBWZSPMI-UHFFFAOYSA-N
XLogP1.96
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(oxolan-2-yl)acetamide?
The IUPAC name of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide (CID 137247061) is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide is CCn1cc2nc(OC)c(CNC(=O)CC3CCCO3)cc2c1O.
What is the InChIKey of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is WGTILTOBWZSPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-20-10-14-13(17(20)22)7-11(16(19-14)23-2)9-18-15(21)8-12-5-4-6-24-12/h7,10,12,22H,3-6,8-9H2,1-2H3,(H,18,21).
What are the key properties of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide?
N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 1.96, 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-(oxolan-2-yl)acetamide is sourced from PubChem (CID 137247061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).