2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile

C23H20F3N5O2 — CID 162619055

About 2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile

2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile (PubChem CID 162619055) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile
• PubChem CID: 162619055
• Molecular Formula: C23H20F3N5O2
• Molecular Weight: 455.44 g/mol
• Exact Mass: 455.16
• IUPAC Name: 2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile
• SMILES: C=C(Nc1cnc(C)c(-c2cnc(OCCOC)c(C#N)c2)c1)c1ccnc(C(F)(F)F)c1
• InChI: InChI=1S/C23H20F3N5O2/c1-14(16-4-5-28-21(9-16)23(24,25)26)31-19-10-20(15(2)29-13-19)18-8-17(11-27)22(30-12-18)33-7-6-32-3/h4-5,8-10,12-13,31H,1,6-7H2,2-3H3
• InChIKey: GGDFOJYKORYGFF-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 92.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.44
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile?

The IUPAC name of 2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile (CID 162619055) is 2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile.

What is the SMILES notation for 2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile?

The canonical SMILES for 2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile is C=C(Nc1cnc(C)c(-c2cnc(OCCOC)c(C#N)c2)c1)c1ccnc(C(F)(F)F)c1.

What is the InChIKey of 2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile?

The InChIKey is GGDFOJYKORYGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-14(16-4-5-28-21(9-16)23(24,25)26)31-19-10-20(15(2)29-13-19)18-8-17(11-27)22(30-12-18)33-7-6-32-3/h4-5,8-10,12-13,31H,1,6-7H2,2-3H3.

What are the key properties of 2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile?

2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 455.44 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 162619055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).