2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate

C22H28N2O2-2 — CID 22942828

IUPAC2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate
SMILESCC1=CC(=CC2C([O-])C(C=C3C=C(C)N(C)C(C)=C3)C2[O-])C=C(C)N1C
InChIInChI=1S/C22H28N2O2/c1-13-7-17(8-14(2)23(13)5)11-19-21(25)20(22(19)26)12-18-9-15(3)24(6)16(4)10-18/h7-12,19-22H,1-6H3/q-2
InChIKeyUGYFJCWTYWXLKW-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.05
Rot. Bonds2

About 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate

2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate (PubChem CID 22942828) has the molecular formula C22H28N2O2-2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate.

Molecular Properties

Compound Name2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate
PubChem CID22942828
Molecular FormulaC22H28N2O2-2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate
SMILESCC1=CC(=CC2C([O-])C(C=C3C=C(C)N(C)C(C)=C3)C2[O-])C=C(C)N1C
InChIInChI=1S/C22H28N2O2/c1-13-7-17(8-14(2)23(13)5)11-19-21(25)20(22(19)26)12-18-9-15(3)24(6)16(4)10-18/h7-12,19-22H,1-6H3/q-2
InChIKeyUGYFJCWTYWXLKW-UHFFFAOYSA-N
XLogP2.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate?
The IUPAC name of 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate (CID 22942828) is 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate.
What is the SMILES notation for 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate?
The canonical SMILES for 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate is CC1=CC(=CC2C([O-])C(C=C3C=C(C)N(C)C(C)=C3)C2[O-])C=C(C)N1C.
What is the InChIKey of 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate?
The InChIKey is UGYFJCWTYWXLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-13-7-17(8-14(2)23(13)5)11-19-21(25)20(22(19)26)12-18-9-15(3)24(6)16(4)10-18/h7-12,19-22H,1-6H3/q-2.
What are the key properties of 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate?
2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate has a molecular weight of 352.48 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diolate is sourced from PubChem (CID 22942828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).