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

C20H26N2O2 — CID 22942778

IUPAC2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol
SMILESCC1=CC(=CC2C(O)C(C=C3C=CN(C)C=C3)C2O)C=C(C)N1C
InChIInChI=1S/C20H26N2O2/c1-13-9-16(10-14(2)22(13)4)12-18-19(23)17(20(18)24)11-15-5-7-21(3)8-6-15/h5-12,17-20,23-24H,1-4H3
InChIKeyKMNGSZAORANZSM-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.53
Rot. Bonds2

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

2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol (PubChem CID 22942778) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol.

Molecular Properties

Compound Name2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol
PubChem CID22942778
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol
SMILESCC1=CC(=CC2C(O)C(C=C3C=CN(C)C=C3)C2O)C=C(C)N1C
InChIInChI=1S/C20H26N2O2/c1-13-9-16(10-14(2)22(13)4)12-18-19(23)17(20(18)24)11-15-5-7-21(3)8-6-15/h5-12,17-20,23-24H,1-4H3
InChIKeyKMNGSZAORANZSM-UHFFFAOYSA-N
XLogP2.53
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol?
The IUPAC name of 2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol (CID 22942778) is 2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol.
What is the SMILES notation for 2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol?
The canonical SMILES for 2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol is CC1=CC(=CC2C(O)C(C=C3C=CN(C)C=C3)C2O)C=C(C)N1C.
What is the InChIKey of 2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol?
The InChIKey is KMNGSZAORANZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-9-16(10-14(2)22(13)4)12-18-19(23)17(20(18)24)11-15-5-7-21(3)8-6-15/h5-12,17-20,23-24H,1-4H3.
What are the key properties of 2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol?
2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol has a molecular weight of 326.44 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-pyridinylidene)methyl]-4-[(1,2,6-trimethyl-4-pyridinylidene)methyl]cyclobutane-1,3-diol is sourced from PubChem (CID 22942778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).