N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide

C16H21N3O5 — CID 137248639

IUPACN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide
SMILESCCn1cc2nc(OC)c(CNC(=O)C3COCCO3)cc2c1O
InChIInChI=1S/C16H21N3O5/c1-3-19-8-12-11(16(19)21)6-10(15(18-12)22-2)7-17-14(20)13-9-23-4-5-24-13/h6,8,13,21H,3-5,7,9H2,1-2H3,(H,17,20)
InChIKeyAXZDBXZCKXDSNX-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.80
Rot. Bonds5

About N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide

N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide (PubChem CID 137248639) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide
PubChem CID137248639
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide
SMILESCCn1cc2nc(OC)c(CNC(=O)C3COCCO3)cc2c1O
InChIInChI=1S/C16H21N3O5/c1-3-19-8-12-11(16(19)21)6-10(15(18-12)22-2)7-17-14(20)13-9-23-4-5-24-13/h6,8,13,21H,3-5,7,9H2,1-2H3,(H,17,20)
InChIKeyAXZDBXZCKXDSNX-UHFFFAOYSA-N
XLogP0.80
TPSA94.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide with MolForge

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Related Compounds

N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide
CID 137256862
3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide
CID 155545081
N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,1-dioxothiane-4-carboxamide
CID 155554055
N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide
CID 137247056
2-cyclopent-2-en-1-yl-N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]acetamide
CID 137247059
N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 137247061
N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide
CID 137247062
N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 137247065
3-[(Cycloheptylamino)methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)pyrrolo[3,4-b]pyridin-5-ol
CID 137247128
N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-oxo-2-phenylacetamide
CID 137247136
N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide
CID 137249387
3-[[3-[(Dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]-2-methoxy-6-propan-2-ylpyrrolo[3,4-b]pyridin-5-ol
CID 137252051

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide (CID 137248639) is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide is CCn1cc2nc(OC)c(CNC(=O)C3COCCO3)cc2c1O.
What is the InChIKey of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide?
The InChIKey is AXZDBXZCKXDSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-3-19-8-12-11(16(19)21)6-10(15(18-12)22-2)7-17-14(20)13-9-23-4-5-24-13/h6,8,13,21H,3-5,7,9H2,1-2H3,(H,17,20).
What are the key properties of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide?
N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1,4-dioxane-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 137248639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).