5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol

C29H36N6O — CID 153382872

About 5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol

5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol (PubChem CID 153382872) has the molecular formula C29H36N6O and a molecular weight of 484.65 g/mol. Its IUPAC name is 5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol.

Molecular Properties

• Compound Name: 5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol
• PubChem CID: 153382872
• Molecular Formula: C29H36N6O
• Molecular Weight: 484.65 g/mol
• Exact Mass: 484.30
• IUPAC Name: 5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol
• SMILES: C=Cc1c(-c2ccc(/C(=C/c3nnn(C4CC(C)(C)NC(C)(C)C4)c3C)N=C)c(O)c2)ccnc1C
• InChI: InChI=1S/C29H36N6O/c1-9-22-18(2)31-13-12-23(22)20-10-11-24(27(36)14-20)26(30-8)15-25-19(3)35(34-32-25)21-16-28(4,5)33-29(6,7)17-21/h9-15,21,33,36H,1,8,16-17H2,2-7H3/b26-15-
• InChIKey: YWPLTBRULPNOGY-YSMPRRRNSA-N
• XLogP: 5.99
• TPSA: 88.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.65
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol?

The IUPAC name of 5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol (CID 153382872) is 5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol.

What is the SMILES notation for 5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol?

The canonical SMILES for 5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol is C=Cc1c(-c2ccc(/C(=C/c3nnn(C4CC(C)(C)NC(C)(C)C4)c3C)N=C)c(O)c2)ccnc1C.

What is the InChIKey of 5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol?

The InChIKey is YWPLTBRULPNOGY-YSMPRRRNSA-N. The full InChI is InChI=1S/C29H36N6O/c1-9-22-18(2)31-13-12-23(22)20-10-11-24(27(36)14-20)26(30-8)15-25-19(3)35(34-32-25)21-16-28(4,5)33-29(6,7)17-21/h9-15,21,33,36H,1,8,16-17H2,2-7H3/b26-15-.

What are the key properties of 5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol?

5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol has a molecular weight of 484.65 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-ethenyl-2-methyl-4-pyridinyl)-2-[(Z)-1-(methylideneamino)-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]phenol is sourced from PubChem (CID 153382872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).