2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine

C20H22N2O — CID 162295338

IUPAC2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(C3C4CCN(C4)C3C)c(C)ccc12
InChIInChI=1S/C20H22N2O/c1-11-4-6-15-16-7-5-12(2)21-20(16)23-19(15)17(11)18-13(3)22-9-8-14(18)10-22/h4-7,13-14,18H,8-10H2,1-3H3
InChIKeyYNHDSCUPPJKSHF-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.41
Rot. Bonds1

About 2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine

2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 162295338) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID162295338
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(C3C4CCN(C4)C3C)c(C)ccc12
InChIInChI=1S/C20H22N2O/c1-11-4-6-15-16-7-5-12(2)21-20(16)23-19(15)17(11)18-13(3)22-9-8-14(18)10-22/h4-7,13-14,18H,8-10H2,1-3H3
InChIKeyYNHDSCUPPJKSHF-UHFFFAOYSA-N
XLogP4.41
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine (CID 162295338) is 2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(C3C4CCN(C4)C3C)c(C)ccc12.
What is the InChIKey of 2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is YNHDSCUPPJKSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-11-4-6-15-16-7-5-12(2)21-20(16)23-19(15)17(11)18-13(3)22-9-8-14(18)10-22/h4-7,13-14,18H,8-10H2,1-3H3.
What are the key properties of 2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine?
2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 306.41 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162295338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).