N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide

C17H14FN3OS — CID 113018323

IUPACN-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C17H14FN3OS/c18-12-3-5-13(6-4-12)20-16-8-7-14(11-19-16)21-17(22)10-15-2-1-9-23-15/h1-9,11H,10H2,(H,19,20)(H,21,22)
InChIKeyXFMHCGTXKPCKQM-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.21
Rot. Bonds5

About N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide

N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113018323) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113018323
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC NameN-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C17H14FN3OS/c18-12-3-5-13(6-4-12)20-16-8-7-14(11-19-16)21-17(22)10-15-2-1-9-23-15/h1-9,11H,10H2,(H,19,20)(H,21,22)
InChIKeyXFMHCGTXKPCKQM-UHFFFAOYSA-N
XLogP4.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018213
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428
N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113020325
N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113017744
N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010070
N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036797
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113015222
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 28901499

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide (CID 113018323) is N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(Nc2ccc(F)cc2)nc1.
What is the InChIKey of N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is XFMHCGTXKPCKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-12-3-5-13(6-4-12)20-16-8-7-14(11-19-16)21-17(22)10-15-2-1-9-23-15/h1-9,11H,10H2,(H,19,20)(H,21,22).
What are the key properties of N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 327.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113018323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).