5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine

C14H19N3 — CID 118669967

IUPAC5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine
SMILESCc1ccc2c(n1)=CC(C1CCN(C)CC1)N=2
InChIInChI=1S/C14H19N3/c1-10-3-4-12-14(15-10)9-13(16-12)11-5-7-17(2)8-6-11/h3-4,9,11,13H,5-8H2,1-2H3
InChIKeyJXJBGSYWMSEJKL-UHFFFAOYSA-N
MW229.33 g/mol
LogP0.51
Rot. Bonds1

About 5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine

5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine (PubChem CID 118669967) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine
PubChem CID118669967
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine
SMILESCc1ccc2c(n1)=CC(C1CCN(C)CC1)N=2
InChIInChI=1S/C14H19N3/c1-10-3-4-12-14(15-10)9-13(16-12)11-5-7-17(2)8-6-11/h3-4,9,11,13H,5-8H2,1-2H3
InChIKeyJXJBGSYWMSEJKL-UHFFFAOYSA-N
XLogP0.51
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine (CID 118669967) is 5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine is Cc1ccc2c(n1)=CC(C1CCN(C)CC1)N=2.
What is the InChIKey of 5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine?
The InChIKey is JXJBGSYWMSEJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-3-4-12-14(15-10)9-13(16-12)11-5-7-17(2)8-6-11/h3-4,9,11,13H,5-8H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine?
5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine has a molecular weight of 229.33 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpiperidin-4-yl)-2H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118669967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).