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

C24H21FN4OS — CID 67101818

IUPAC2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2ccsc2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C24H21FN4OS/c25-19-5-1-3-16(13-19)8-11-28-24-20(6-7-21(29-24)18-9-12-31-15-18)22(23(26)30)17-4-2-10-27-14-17/h1-7,9-10,12-15,22H,8,11H2,(H2,26,30)(H,28,29)
InChIKeyPBVNVIQCYQLPQR-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.62
Rot. Bonds8

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

2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101818) has the molecular formula C24H21FN4OS and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101818
Molecular FormulaC24H21FN4OS
Molecular Weight432.52 g/mol
Exact Mass432.14
IUPAC Name2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2ccsc2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C24H21FN4OS/c25-19-5-1-3-16(13-19)8-11-28-24-20(6-7-21(29-24)18-9-12-31-15-18)22(23(26)30)17-4-2-10-27-14-17/h1-7,9-10,12-15,22H,8,11H2,(H2,26,30)(H,28,29)
InChIKeyPBVNVIQCYQLPQR-UHFFFAOYSA-N
XLogP4.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101818) is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(-c2ccsc2)nc1NCCc1cccc(F)c1.
What is the InChIKey of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is PBVNVIQCYQLPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS/c25-19-5-1-3-16(13-19)8-11-28-24-20(6-7-21(29-24)18-9-12-31-15-18)22(23(26)30)17-4-2-10-27-14-17/h1-7,9-10,12-15,22H,8,11H2,(H2,26,30)(H,28,29).
What are the key properties of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 432.52 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).