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

C24H20F2N4OS — CID 67100922

IUPAC2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2cccs2)nc1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C24H20F2N4OS/c25-17-11-15(12-18(26)13-17)7-9-29-24-19(5-6-20(30-24)21-4-2-10-32-21)22(23(27)31)16-3-1-8-28-14-16/h1-6,8,10-14,22H,7,9H2,(H2,27,31)(H,29,30)
InChIKeyKAOUWJPPFUEQBM-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.76
Rot. Bonds8

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

2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67100922) 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-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67100922
Molecular FormulaC24H20F2N4OS
Molecular Weight450.51 g/mol
Exact Mass450.13
IUPAC Name2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2cccs2)nc1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C24H20F2N4OS/c25-17-11-15(12-18(26)13-17)7-9-29-24-19(5-6-20(30-24)21-4-2-10-32-21)22(23(27)31)16-3-1-8-28-14-16/h1-6,8,10-14,22H,7,9H2,(H2,27,31)(H,29,30)
InChIKeyKAOUWJPPFUEQBM-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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67100922) is 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(-c2cccs2)nc1NCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is KAOUWJPPFUEQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4OS/c25-17-11-15(12-18(26)13-17)7-9-29-24-19(5-6-20(30-24)21-4-2-10-32-21)22(23(27)31)16-3-1-8-28-14-16/h1-6,8,10-14,22H,7,9H2,(H2,27,31)(H,29,30).
What are the key properties of 2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[2-[2-(3,5-difluorophenyl)ethylamino]-6-thiophen-2-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-2-yl-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67100922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).