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

C24H21FN4OS — CID 67101086

IUPAC2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2cccs2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C24H21FN4OS/c25-18-6-1-4-16(14-18)10-12-28-24-19(8-9-20(29-24)21-7-3-13-31-21)22(23(26)30)17-5-2-11-27-15-17/h1-9,11,13-15,22H,10,12H2,(H2,26,30)(H,28,29)
InChIKeyQBEPQJIYCKSKIF-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.62
Rot. Bonds8

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

2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101086) 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-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101086
Molecular FormulaC24H21FN4OS
Molecular Weight432.52 g/mol
Exact Mass432.14
IUPAC Name2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2cccs2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C24H21FN4OS/c25-18-6-1-4-16(14-18)10-12-28-24-19(8-9-20(29-24)21-7-3-13-31-21)22(23(26)30)17-5-2-11-27-15-17/h1-9,11,13-15,22H,10,12H2,(H2,26,30)(H,28,29)
InChIKeyQBEPQJIYCKSKIF-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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Related Compounds

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CID 8123789
CID 8123789
CID 8123825
CID 8123825
CID 11951725
CID 11951725
CID 14576956
CID 14576956
CID 16066694
CID 16066694
CID 16223711
CID 16223711
CID 16223900
CID 16223900
CID 18450549
CID 18450549
CID 18451351
CID 18451351

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101086) is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(-c2cccs2)nc1NCCc1cccc(F)c1.
What is the InChIKey of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is QBEPQJIYCKSKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS/c25-18-6-1-4-16(14-18)10-12-28-24-19(8-9-20(29-24)21-7-3-13-31-21)22(23(26)30)17-5-2-11-27-15-17/h1-9,11,13-15,22H,10,12H2,(H2,26,30)(H,28,29).
What are the key properties of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[2-[2-(3-fluorophenyl)ethylamino]-6-thiophen-2-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-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).