5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C20H18N2O — CID 155611333

IUPAC5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)Cc1ccnc(-c2cccc3oc4ncccc4c23)c1
InChIInChI=1S/C20H18N2O/c1-13(2)11-14-8-10-21-17(12-14)15-5-3-7-18-19(15)16-6-4-9-22-20(16)23-18/h3-10,12-13H,11H2,1-2H3
InChIKeyNIULFCMDKCRWTR-UHFFFAOYSA-N
MW302.38 g/mol
LogP5.24
Rot. Bonds3

About 5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 155611333) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID155611333
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)Cc1ccnc(-c2cccc3oc4ncccc4c23)c1
InChIInChI=1S/C20H18N2O/c1-13(2)11-14-8-10-21-17(12-14)15-5-3-7-18-19(15)16-6-4-9-22-20(16)23-18/h3-10,12-13H,11H2,1-2H3
InChIKeyNIULFCMDKCRWTR-UHFFFAOYSA-N
XLogP5.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 162776993
2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine
CID 166573874
5-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 139383057
4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 118651859
5-ethyl-[1]benzofuro[2,3-b]pyridine
CID 143904275
iridium;4-(2-methylpropyl)-2-phenylpyridine;2-(9-phenyldibenzofuran-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169039030
5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 153458130
[1]benzofuro[2,3-b]pyridin-5-amine
CID 118860660
2-dibenzofuran-4-yl-4-octylpyridine
CID 171576908
2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine
CID 177351383
4-tert-butyl-2-(7,9-diphenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169039375
2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 155611333) is 5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is CC(C)Cc1ccnc(-c2cccc3oc4ncccc4c23)c1.
What is the InChIKey of 5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is NIULFCMDKCRWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-13(2)11-14-8-10-21-17(12-14)15-5-3-7-18-19(15)16-6-4-9-22-20(16)23-18/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 302.38 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155611333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).