2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide

C27H25FN4O2 — CID 67101286

About 2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101286) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: 2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide
• PubChem CID: 67101286
• Molecular Formula: C27H25FN4O2
• Molecular Weight: 456.52 g/mol
• Exact Mass: 456.20
• IUPAC Name: 2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide
• SMILES: NC(=O)C(c1cccnc1)c1cc(CO)c(-c2ccccc2)nc1NCCc1cccc(F)c1
• InChI: InChI=1S/C27H25FN4O2/c28-22-10-4-6-18(14-22)11-13-31-27-23(24(26(29)34)20-9-5-12-30-16-20)15-21(17-33)25(32-27)19-7-2-1-3-8-19/h1-10,12,14-16,24,33H,11,13,17H2,(H2,29,34)(H,31,32)
• InChIKey: XHSHMBRLZOFFNI-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 101.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.52
LogP ≤ 5	4.05
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]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide?

The IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101286) is 2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide.

What is the SMILES notation for 2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide?

The canonical SMILES for 2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1cc(CO)c(-c2ccccc2)nc1NCCc1cccc(F)c1.

What is the InChIKey of 2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide?

The InChIKey is XHSHMBRLZOFFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c28-22-10-4-6-18(14-22)11-13-31-27-23(24(26(29)34)20-9-5-12-30-16-20)15-21(17-33)25(32-27)19-7-2-1-3-8-19/h1-10,12,14-16,24,33H,11,13,17H2,(H2,29,34)(H,31,32).

What are the key properties of 2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide?

2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 456.52 g/mol, XLogP of 4.05, 9 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]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).