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

C22H30N2O2 — CID 22942829

IUPAC2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol
SMILESCC1=CC(=CC2C(O)C(C=C3C=C(C)N(C)C(C)=C3)C2O)C=C(C)N1C
InChIInChI=1S/C22H30N2O2/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/h7-12,19-22,25-26H,1-6H3
InChIKeyJLJQNKAHBZPYEU-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.31
Rot. Bonds2

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

2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol (PubChem CID 22942829) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol.

Molecular Properties

Compound Name2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol
PubChem CID22942829
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol
SMILESCC1=CC(=CC2C(O)C(C=C3C=C(C)N(C)C(C)=C3)C2O)C=C(C)N1C
InChIInChI=1S/C22H30N2O2/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/h7-12,19-22,25-26H,1-6H3
InChIKeyJLJQNKAHBZPYEU-UHFFFAOYSA-N
XLogP3.31
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol?
The IUPAC name of 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol (CID 22942829) is 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol.
What is the SMILES notation for 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol?
The canonical SMILES for 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol is CC1=CC(=CC2C(O)C(C=C3C=C(C)N(C)C(C)=C3)C2O)C=C(C)N1C.
What is the InChIKey of 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol?
The InChIKey is JLJQNKAHBZPYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/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/h7-12,19-22,25-26H,1-6H3.
What are the key properties of 2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol?
2,4-bis[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol has a molecular weight of 354.49 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 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-diol is sourced from PubChem (CID 22942829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).