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

C25H20FN5OS — CID 67101395

IUPAC2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESN#Cc1sccc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C25H20FN5OS/c26-18-5-1-3-16(13-18)8-11-30-25-20(23(24(28)32)17-4-2-10-29-15-17)6-7-21(31-25)19-9-12-33-22(19)14-27/h1-7,9-10,12-13,15,23H,8,11H2,(H2,28,32)(H,30,31)
InChIKeyMSEWCTBSKISFQG-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.49
Rot. Bonds8

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

2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101395) has the molecular formula C25H20FN5OS and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101395
Molecular FormulaC25H20FN5OS
Molecular Weight457.53 g/mol
Exact Mass457.14
IUPAC Name2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESN#Cc1sccc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C25H20FN5OS/c26-18-5-1-3-16(13-18)8-11-30-25-20(23(24(28)32)17-4-2-10-29-15-17)6-7-21(31-25)19-9-12-33-22(19)14-27/h1-7,9-10,12-13,15,23H,8,11H2,(H2,28,32)(H,30,31)
InChIKeyMSEWCTBSKISFQG-UHFFFAOYSA-N
XLogP4.49
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101395) is 2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is N#Cc1sccc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2)n1.
What is the InChIKey of 2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is MSEWCTBSKISFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5OS/c26-18-5-1-3-16(13-18)8-11-30-25-20(23(24(28)32)17-4-2-10-29-15-17)6-7-21(31-25)19-9-12-33-22(19)14-27/h1-7,9-10,12-13,15,23H,8,11H2,(H2,28,32)(H,30,31).
What are the key properties of 2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 457.53 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-cyanothiophen-3-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).