6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C14H17N3O — CID 59559466

IUPAC6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccc2c(C3=CCNCC3)c[nH]c2n1
InChIInChI=1S/C14H17N3O/c1-2-18-13-4-3-11-12(9-16-14(11)17-13)10-5-7-15-8-6-10/h3-5,9,15H,2,6-8H2,1H3,(H,16,17)
InChIKeyHOANNOAGFFFBDH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.34
Rot. Bonds3

About 6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59559466) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59559466
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccc2c(C3=CCNCC3)c[nH]c2n1
InChIInChI=1S/C14H17N3O/c1-2-18-13-4-3-11-12(9-16-14(11)17-13)10-5-7-15-8-6-10/h3-5,9,15H,2,6-8H2,1H3,(H,16,17)
InChIKeyHOANNOAGFFFBDH-UHFFFAOYSA-N
XLogP2.34
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 59559466) is 6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is CCOc1ccc2c(C3=CCNCC3)c[nH]c2n1.
What is the InChIKey of 6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HOANNOAGFFFBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-13-4-3-11-12(9-16-14(11)17-13)10-5-7-15-8-6-10/h3-5,9,15H,2,6-8H2,1H3,(H,16,17).
What are the key properties of 6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 243.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59559466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).