6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine

C20H18N2O — CID 90140768

IUPAC6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine
SMILESCc1ccnc(-c2cccc3c2oc2ccc(C(C)C)nc23)c1
InChIInChI=1S/C20H18N2O/c1-12(2)16-7-8-18-19(22-16)15-6-4-5-14(20(15)23-18)17-11-13(3)9-10-21-17/h4-12H,1-3H3
InChIKeyQPTHGVQKHIYOKN-UHFFFAOYSA-N
MW302.38 g/mol
LogP5.47
Rot. Bonds2

About 6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine

6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 90140768) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID90140768
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine
SMILESCc1ccnc(-c2cccc3c2oc2ccc(C(C)C)nc23)c1
InChIInChI=1S/C20H18N2O/c1-12(2)16-7-8-18-19(22-16)15-6-4-5-14(20(15)23-18)17-11-13(3)9-10-21-17/h4-12H,1-3H3
InChIKeyQPTHGVQKHIYOKN-UHFFFAOYSA-N
XLogP5.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 90140756
2-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140769
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-methyl-6-phenyl-[1]benzofuro[3,2-b]pyridine;6-(3-methylphenyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine;6-(4-methylphenyl)-4-propan-2-yl-[1]benzofuro[3,2-b]pyridine;6-phenyl-2-(1,1,1,2-tetradeuteriopropan-2-yl)-[1]benzofuro[3,2-b]pyridine;6-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 159178525
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine
CID 153283609
4-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine
CID 170518785
8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 155612290
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020
2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791495
4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine
CID 166573663

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine (CID 90140768) is 6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine is Cc1ccnc(-c2cccc3c2oc2ccc(C(C)C)nc23)c1.
What is the InChIKey of 6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is QPTHGVQKHIYOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-12(2)16-7-8-18-19(22-16)15-6-4-5-14(20(15)23-18)17-11-13(3)9-10-21-17/h4-12H,1-3H3.
What are the key properties of 6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine?
6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 302.38 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 90140768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).