2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine

C23H26N2O — CID 90138347

IUPAC2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCCC1=CN(C)C(C)(c2c(C)ccc3c2oc2nc(CC)ccc23)C=C1
InChIInChI=1S/C23H26N2O/c1-6-16-12-13-23(4,25(5)14-16)20-15(3)8-10-18-19-11-9-17(7-2)24-22(19)26-21(18)20/h8-14H,6-7H2,1-5H3
InChIKeyYCPMGMZHCIBCIO-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.86
Rot. Bonds3

About 2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine

2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 90138347) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID90138347
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCCC1=CN(C)C(C)(c2c(C)ccc3c2oc2nc(CC)ccc23)C=C1
InChIInChI=1S/C23H26N2O/c1-6-16-12-13-23(4,25(5)14-16)20-15(3)8-10-18-19-11-9-17(7-2)24-22(19)26-21(18)20/h8-14H,6-7H2,1-5H3
InChIKeyYCPMGMZHCIBCIO-UHFFFAOYSA-N
XLogP5.86
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine (CID 90138347) is 2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine is CCC1=CN(C)C(C)(c2c(C)ccc3c2oc2nc(CC)ccc23)C=C1.
What is the InChIKey of 2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is YCPMGMZHCIBCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-6-16-12-13-23(4,25(5)14-16)20-15(3)8-10-18-19-11-9-17(7-2)24-22(19)26-21(18)20/h8-14H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine?
2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 346.47 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(5-ethyl-1,2-dimethyl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90138347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).