4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine

C21H18N2O3 — CID 130442508

IUPAC4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine
SMILESCOc1ccc(-c2ccc(Oc3nccc4occc34)cc2C)c(C)n1
InChIInChI=1S/C21H18N2O3/c1-13-12-15(26-21-18-9-11-25-19(18)8-10-22-21)4-5-16(13)17-6-7-20(24-3)23-14(17)2/h4-12H,1-3H3
InChIKeyBUMAFJXLGSZPPK-UHFFFAOYSA-N
MW346.39 g/mol
LogP5.31
Rot. Bonds4

About 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine

4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine (PubChem CID 130442508) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine
PubChem CID130442508
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine
SMILESCOc1ccc(-c2ccc(Oc3nccc4occc34)cc2C)c(C)n1
InChIInChI=1S/C21H18N2O3/c1-13-12-15(26-21-18-9-11-25-19(18)8-10-22-21)4-5-16(13)17-6-7-20(24-3)23-14(17)2/h4-12H,1-3H3
InChIKeyBUMAFJXLGSZPPK-UHFFFAOYSA-N
XLogP5.31
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine (CID 130442508) is 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine is COc1ccc(-c2ccc(Oc3nccc4occc34)cc2C)c(C)n1.
What is the InChIKey of 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine?
The InChIKey is BUMAFJXLGSZPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-13-12-15(26-21-18-9-11-25-19(18)8-10-22-21)4-5-16(13)17-6-7-20(24-3)23-14(17)2/h4-12H,1-3H3.
What are the key properties of 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine?
4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine has a molecular weight of 346.39 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 130442508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).