8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine

C24H18N2O — CID 162707390

IUPAC8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(Cc4ccccc4)ccn3)cccc12
InChIInChI=1S/C24H18N2O/c1-16-10-11-20-19-8-5-9-21(23(19)27-24(20)26-16)22-15-18(12-13-25-22)14-17-6-3-2-4-7-17/h2-13,15H,14H2,1H3
InChIKeyQSMOLJSXTPJOAC-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.94
Rot. Bonds3

About 8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine

8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 162707390) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID162707390
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(Cc4ccccc4)ccn3)cccc12
InChIInChI=1S/C24H18N2O/c1-16-10-11-20-19-8-5-9-21(23(19)27-24(20)26-16)22-15-18(12-13-25-22)14-17-6-3-2-4-7-17/h2-13,15H,14H2,1H3
InChIKeyQSMOLJSXTPJOAC-UHFFFAOYSA-N
XLogP5.94
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
2-methyl-8-[4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779070
8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121582
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline
CID 172522572
8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121594
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
2-methyl-8-[4-(5-methylquinolin-6-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778917
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
8-[4-(1,1-dideuterioethyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 157270726
2-methyl-8-[5-methyl-4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779482
4-[dideuterio(phenyl)methyl]-2-[7-(trideuteriomethyl)dibenzofuran-4-yl]pyridine
CID 162710303

Frequently Asked Questions

What is the IUPAC name of 8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 162707390) is 8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(Cc4ccccc4)ccn3)cccc12.
What is the InChIKey of 8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is QSMOLJSXTPJOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-16-10-11-20-19-8-5-9-21(23(19)27-24(20)26-16)22-15-18(12-13-25-22)14-17-6-3-2-4-7-17/h2-13,15H,14H2,1H3.
What are the key properties of 8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine?
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 350.42 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162707390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).