4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine

C21H20N4O2 — CID 167462490

IUPAC4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine
SMILESCc1ccnc(Nc2ccc(Oc3cccc4c3C3(CC3)CO4)nc2)c1N
InChIInChI=1S/C21H20N4O2/c1-13-7-10-23-20(19(13)22)25-14-5-6-17(24-11-14)27-16-4-2-3-15-18(16)21(8-9-21)12-26-15/h2-7,10-11H,8-9,12,22H2,1H3,(H,23,25)
InChIKeyDAUTWEQKGCUSJJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.33
Rot. Bonds4

About 4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine

4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine (PubChem CID 167462490) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine
PubChem CID167462490
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine
SMILESCc1ccnc(Nc2ccc(Oc3cccc4c3C3(CC3)CO4)nc2)c1N
InChIInChI=1S/C21H20N4O2/c1-13-7-10-23-20(19(13)22)25-14-5-6-17(24-11-14)27-16-4-2-3-15-18(16)21(8-9-21)12-26-15/h2-7,10-11H,8-9,12,22H2,1H3,(H,23,25)
InChIKeyDAUTWEQKGCUSJJ-UHFFFAOYSA-N
XLogP4.33
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine?
The IUPAC name of 4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine (CID 167462490) is 4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine.
What is the SMILES notation for 4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine?
The canonical SMILES for 4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine is Cc1ccnc(Nc2ccc(Oc3cccc4c3C3(CC3)CO4)nc2)c1N.
What is the InChIKey of 4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine?
The InChIKey is DAUTWEQKGCUSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-7-10-23-20(19(13)22)25-14-5-6-17(24-11-14)27-16-4-2-3-15-18(16)21(8-9-21)12-26-15/h2-7,10-11H,8-9,12,22H2,1H3,(H,23,25).
What are the key properties of 4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine?
4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine has a molecular weight of 360.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine is sourced from PubChem (CID 167462490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).