2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide

C25H26FN5O — CID 67187375

About 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67187375) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
• PubChem CID: 67187375
• Molecular Formula: C25H26FN5O
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.21
• IUPAC Name: 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
• SMILES: NC(=O)C(c1cccnc1)c1ccc(C2=CCNCC2)nc1NCCc1cccc(F)c1
• InChI: InChI=1S/C25H26FN5O/c26-20-5-1-3-17(15-20)8-14-30-25-21(23(24(27)32)19-4-2-11-29-16-19)6-7-22(31-25)18-9-12-28-13-10-18/h1-7,9,11,15-16,23,28H,8,10,12-14H2,(H2,27,32)(H,30,31)
• InChIKey: OWMZHGNCZJMCMV-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 92.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?

The IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67187375) is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide.

What is the SMILES notation for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?

The canonical SMILES for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(C2=CCNCC2)nc1NCCc1cccc(F)c1.

What is the InChIKey of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?

The InChIKey is OWMZHGNCZJMCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c26-20-5-1-3-17(15-20)8-14-30-25-21(23(24(27)32)19-4-2-11-29-16-19)6-7-22(31-25)18-9-12-28-13-10-18/h1-7,9,11,15-16,23,28H,8,10,12-14H2,(H2,27,32)(H,30,31).

What are the key properties of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?

2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 431.52 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67187375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).