2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

C26H23FN4O2S — CID 67100915

IUPAC2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESCC(=O)c1ccc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3cccc(F)c3)n2)s1
InChIInChI=1S/C26H23FN4O2S/c1-16(32)22-9-10-23(34-22)21-8-7-20(24(25(28)33)18-5-3-12-29-15-18)26(31-21)30-13-11-17-4-2-6-19(27)14-17/h2-10,12,14-15,24H,11,13H2,1H3,(H2,28,33)(H,30,31)
InChIKeyAWVCIJHZEGMAOS-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.82
Rot. Bonds9

About 2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67100915) has the molecular formula C26H23FN4O2S and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67100915
Molecular FormulaC26H23FN4O2S
Molecular Weight474.56 g/mol
Exact Mass474.15
IUPAC Name2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESCC(=O)c1ccc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3cccc(F)c3)n2)s1
InChIInChI=1S/C26H23FN4O2S/c1-16(32)22-9-10-23(34-22)21-8-7-20(24(25(28)33)18-5-3-12-29-15-18)26(31-21)30-13-11-17-4-2-6-19(27)14-17/h2-10,12,14-15,24H,11,13H2,1H3,(H2,28,33)(H,30,31)
InChIKeyAWVCIJHZEGMAOS-UHFFFAOYSA-N
XLogP4.82
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67100915) is 2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is CC(=O)c1ccc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3cccc(F)c3)n2)s1.
What is the InChIKey of 2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is AWVCIJHZEGMAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2S/c1-16(32)22-9-10-23(34-22)21-8-7-20(24(25(28)33)18-5-3-12-29-15-18)26(31-21)30-13-11-17-4-2-6-19(27)14-17/h2-10,12,14-15,24H,11,13H2,1H3,(H2,28,33)(H,30,31).
What are the key properties of 2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 474.56 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-acetylthiophen-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67100915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).