2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide

C25H22F2N4OS — CID 67101496

IUPAC2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESCc1csc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3cc(F)cc(F)c3)n2)c1
InChIInChI=1S/C25H22F2N4OS/c1-15-9-22(33-14-15)21-5-4-20(23(24(28)32)17-3-2-7-29-13-17)25(31-21)30-8-6-16-10-18(26)12-19(27)11-16/h2-5,7,9-14,23H,6,8H2,1H3,(H2,28,32)(H,30,31)
InChIKeyONYBFJLIAXWBNM-UHFFFAOYSA-N
MW464.54 g/mol
LogP5.06
Rot. Bonds8

About 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101496) has the molecular formula C25H22F2N4OS and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101496
Molecular FormulaC25H22F2N4OS
Molecular Weight464.54 g/mol
Exact Mass464.15
IUPAC Name2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESCc1csc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3cc(F)cc(F)c3)n2)c1
InChIInChI=1S/C25H22F2N4OS/c1-15-9-22(33-14-15)21-5-4-20(23(24(28)32)17-3-2-7-29-13-17)25(31-21)30-8-6-16-10-18(26)12-19(27)11-16/h2-5,7,9-14,23H,6,8H2,1H3,(H2,28,32)(H,30,31)
InChIKeyONYBFJLIAXWBNM-UHFFFAOYSA-N
XLogP5.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101496) is 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide is Cc1csc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3cc(F)cc(F)c3)n2)c1.
What is the InChIKey of 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is ONYBFJLIAXWBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4OS/c1-15-9-22(33-14-15)21-5-4-20(23(24(28)32)17-3-2-7-29-13-17)25(31-21)30-8-6-16-10-18(26)12-19(27)11-16/h2-5,7,9-14,23H,6,8H2,1H3,(H2,28,32)(H,30,31).
What are the key properties of 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 464.54 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-(4-methylthiophen-2-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).