2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide

C25H23FN4O2S — CID 67100713

About 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67100713) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
• PubChem CID: 67100713
• Molecular Formula: C25H23FN4O2S
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.15
• IUPAC Name: 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
• SMILES: NC(=O)C(c1cccnc1)c1ccc(-c2sccc2CO)nc1NCCc1cccc(F)c1
• InChI: InChI=1S/C25H23FN4O2S/c26-19-5-1-3-16(13-19)8-11-29-25-20(22(24(27)32)17-4-2-10-28-14-17)6-7-21(30-25)23-18(15-31)9-12-33-23/h1-7,9-10,12-14,22,31H,8,11,15H2,(H2,27,32)(H,29,30)
• InChIKey: DNHFJIWOWLNSMY-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 101.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide?

The IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67100713) is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide.

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

The canonical SMILES for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(-c2sccc2CO)nc1NCCc1cccc(F)c1.

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

The InChIKey is DNHFJIWOWLNSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c26-19-5-1-3-16(13-19)8-11-29-25-20(22(24(27)32)17-4-2-10-28-14-17)6-7-21(30-25)23-18(15-31)9-12-33-23/h1-7,9-10,12-14,22,31H,8,11,15H2,(H2,27,32)(H,29,30).

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

2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 462.55 g/mol, XLogP of 4.11, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67100713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).