2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine

C18H20N2O2 — CID 162646657

IUPAC2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine
SMILESCc1nc(/C=C/c2cccnc2)c(C)c2c1OC(C)(C)OC2
InChIInChI=1S/C18H20N2O2/c1-12-15-11-21-18(3,4)22-17(15)13(2)20-16(12)8-7-14-6-5-9-19-10-14/h5-10H,11H2,1-4H3/b8-7+
InChIKeyHNFOVTWYJVHQQC-BQYQJAHWSA-N
MW296.37 g/mol
LogP3.91
Rot. Bonds2

About 2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine

2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine (PubChem CID 162646657) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine.

Molecular Properties

Compound Name2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine
PubChem CID162646657
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine
SMILESCc1nc(/C=C/c2cccnc2)c(C)c2c1OC(C)(C)OC2
InChIInChI=1S/C18H20N2O2/c1-12-15-11-21-18(3,4)22-17(15)13(2)20-16(12)8-7-14-6-5-9-19-10-14/h5-10H,11H2,1-4H3/b8-7+
InChIKeyHNFOVTWYJVHQQC-BQYQJAHWSA-N
XLogP3.91
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine?
The IUPAC name of 2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine (CID 162646657) is 2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine.
What is the SMILES notation for 2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine?
The canonical SMILES for 2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine is Cc1nc(/C=C/c2cccnc2)c(C)c2c1OC(C)(C)OC2.
What is the InChIKey of 2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine?
The InChIKey is HNFOVTWYJVHQQC-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-15-11-21-18(3,4)22-17(15)13(2)20-16(12)8-7-14-6-5-9-19-10-14/h5-10H,11H2,1-4H3/b8-7+.
What are the key properties of 2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine?
2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine has a molecular weight of 296.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,8-tetramethyl-6-[(E)-2-pyridin-3-ylethenyl]-4H-[1,3]dioxino[4,5-c]pyridine is sourced from PubChem (CID 162646657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).