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

C18H20N4O4 — CID 137247065

IUPACN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCCn1cc2nc(OC)c(CNC(=O)Cn3ccccc3=O)cc2c1O
InChIInChI=1S/C18H20N4O4/c1-3-21-10-14-13(18(21)25)8-12(17(20-14)26-2)9-19-15(23)11-22-7-5-4-6-16(22)24/h4-8,10,25H,3,9,11H2,1-2H3,(H,19,23)
InChIKeyPCSCXLACQOYFOP-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.25
Rot. Bonds6

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

N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 137247065) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID137247065
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCCn1cc2nc(OC)c(CNC(=O)Cn3ccccc3=O)cc2c1O
InChIInChI=1S/C18H20N4O4/c1-3-21-10-14-13(18(21)25)8-12(17(20-14)26-2)9-19-15(23)11-22-7-5-4-6-16(22)24/h4-8,10,25H,3,9,11H2,1-2H3,(H,19,23)
InChIKeyPCSCXLACQOYFOP-UHFFFAOYSA-N
XLogP1.25
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 137247065) is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide is CCn1cc2nc(OC)c(CNC(=O)Cn3ccccc3=O)cc2c1O.
What is the InChIKey of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is PCSCXLACQOYFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-3-21-10-14-13(18(21)25)8-12(17(20-14)26-2)9-19-15(23)11-22-7-5-4-6-16(22)24/h4-8,10,25H,3,9,11H2,1-2H3,(H,19,23).
What are the key properties of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 1.25, 6 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]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 137247065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).