2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide

C25H23FN4OS — CID 67101957

IUPAC2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESCc1csc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3cccc(F)c3)n2)c1
InChIInChI=1S/C25H23FN4OS/c1-16-12-22(32-15-16)21-8-7-20(23(24(27)31)18-5-3-10-28-14-18)25(30-21)29-11-9-17-4-2-6-19(26)13-17/h2-8,10,12-15,23H,9,11H2,1H3,(H2,27,31)(H,29,30)
InChIKeyASCHVGQHPIOLTC-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.92
Rot. Bonds8

About 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101957) has the molecular formula C25H23FN4OS and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101957
Molecular FormulaC25H23FN4OS
Molecular Weight446.55 g/mol
Exact Mass446.16
IUPAC Name2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESCc1csc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3cccc(F)c3)n2)c1
InChIInChI=1S/C25H23FN4OS/c1-16-12-22(32-15-16)21-8-7-20(23(24(27)31)18-5-3-10-28-14-18)25(30-21)29-11-9-17-4-2-6-19(26)13-17/h2-8,10,12-15,23H,9,11H2,1H3,(H2,27,31)(H,29,30)
InChIKeyASCHVGQHPIOLTC-UHFFFAOYSA-N
XLogP4.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.92
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-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101957) is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide is Cc1csc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3cccc(F)c3)n2)c1.
What is the InChIKey of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is ASCHVGQHPIOLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4OS/c1-16-12-22(32-15-16)21-8-7-20(23(24(27)31)18-5-3-10-28-14-18)25(30-21)29-11-9-17-4-2-6-19(26)13-17/h2-8,10,12-15,23H,9,11H2,1H3,(H2,27,31)(H,29,30).
What are the key properties of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[2-[2-(3-fluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 446.55 g/mol, XLogP of 4.92, 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-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).