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

C24H20F2N4OS — CID 67100996

IUPAC2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2ccsc2)nc1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C24H20F2N4OS/c25-18-10-15(11-19(26)12-18)5-8-29-24-20(3-4-21(30-24)17-6-9-32-14-17)22(23(27)31)16-2-1-7-28-13-16/h1-4,6-7,9-14,22H,5,8H2,(H2,27,31)(H,29,30)
InChIKeyRVUVZOAEAGEMDI-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.76
Rot. Bonds8

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

2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67100996) has the molecular formula C24H20F2N4OS and a molecular weight of 450.51 g/mol. Its IUPAC name is 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67100996
Molecular FormulaC24H20F2N4OS
Molecular Weight450.51 g/mol
Exact Mass450.13
IUPAC Name2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2ccsc2)nc1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C24H20F2N4OS/c25-18-10-15(11-19(26)12-18)5-8-29-24-20(3-4-21(30-24)17-6-9-32-14-17)22(23(27)31)16-2-1-7-28-13-16/h1-4,6-7,9-14,22H,5,8H2,(H2,27,31)(H,29,30)
InChIKeyRVUVZOAEAGEMDI-UHFFFAOYSA-N
XLogP4.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 164709790
CID 164709790
CID 76328235
CID 76328235
CID 8123789
CID 8123789
CID 8123825
CID 8123825
CID 11951726
CID 11951726
CID 16066694
CID 16066694
CID 16223711
CID 16223711
CID 16223900
CID 16223900
CID 18450549
CID 18450549
CID 18451351
CID 18451351
CID 18581471
CID 18581471
CID 52917420
CID 52917420

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67100996) is 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(-c2ccsc2)nc1NCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is RVUVZOAEAGEMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4OS/c25-18-10-15(11-19(26)12-18)5-8-29-24-20(3-4-21(30-24)17-6-9-32-14-17)22(23(27)31)16-2-1-7-28-13-16/h1-4,6-7,9-14,22H,5,8H2,(H2,27,31)(H,29,30).
What are the key properties of 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 450.51 g/mol, XLogP of 4.76, 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-thiophen-3-yl-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67100996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).