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

C18H26N4O3 — CID 137256862

IUPACN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide
SMILESCCn1cc2nc(OC)c(CNC(=O)C3CCCN(C)C3)cc2c1O
InChIInChI=1S/C18H26N4O3/c1-4-22-11-15-14(18(22)24)8-13(17(20-15)25-3)9-19-16(23)12-6-5-7-21(2)10-12/h8,11-12,24H,4-7,9-10H2,1-3H3,(H,19,23)
InChIKeyGMIJDVXXOJGECI-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.73
Rot. Bonds5

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

N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide (PubChem CID 137256862) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide
PubChem CID137256862
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide
SMILESCCn1cc2nc(OC)c(CNC(=O)C3CCCN(C)C3)cc2c1O
InChIInChI=1S/C18H26N4O3/c1-4-22-11-15-14(18(22)24)8-13(17(20-15)25-3)9-19-16(23)12-6-5-7-21(2)10-12/h8,11-12,24H,4-7,9-10H2,1-3H3,(H,19,23)
InChIKeyGMIJDVXXOJGECI-UHFFFAOYSA-N
XLogP1.73
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.73
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]-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide (CID 137256862) is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide is CCn1cc2nc(OC)c(CNC(=O)C3CCCN(C)C3)cc2c1O.
What is the InChIKey of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is GMIJDVXXOJGECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-22-11-15-14(18(22)24)8-13(17(20-15)25-3)9-19-16(23)12-6-5-7-21(2)10-12/h8,11-12,24H,4-7,9-10H2,1-3H3,(H,19,23).
What are the key properties of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide?
N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.73, 5 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]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 137256862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).