5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine

C16H16N2O2 — CID 129247046

IUPAC5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine
SMILESCc1ccc(Oc2ccc(N)nc2)c2c1OCC21CC1
InChIInChI=1S/C16H16N2O2/c1-10-2-4-12(20-11-3-5-13(17)18-8-11)14-15(10)19-9-16(14)6-7-16/h2-5,8H,6-7,9H2,1H3,(H2,17,18)
InChIKeyHUZOGGKSFMYUSK-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.19
Rot. Bonds2

About 5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine

5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine (PubChem CID 129247046) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine.

Molecular Properties

Compound Name5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine
PubChem CID129247046
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine
SMILESCc1ccc(Oc2ccc(N)nc2)c2c1OCC21CC1
InChIInChI=1S/C16H16N2O2/c1-10-2-4-12(20-11-3-5-13(17)18-8-11)14-15(10)19-9-16(14)6-7-16/h2-5,8H,6-7,9H2,1H3,(H2,17,18)
InChIKeyHUZOGGKSFMYUSK-UHFFFAOYSA-N
XLogP3.19
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine?
The IUPAC name of 5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine (CID 129247046) is 5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine.
What is the SMILES notation for 5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine?
The canonical SMILES for 5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine is Cc1ccc(Oc2ccc(N)nc2)c2c1OCC21CC1.
What is the InChIKey of 5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine?
The InChIKey is HUZOGGKSFMYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-2-4-12(20-11-3-5-13(17)18-8-11)14-15(10)19-9-16(14)6-7-16/h2-5,8H,6-7,9H2,1H3,(H2,17,18).
What are the key properties of 5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine?
5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine is sourced from PubChem (CID 129247046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).