2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

C17H14FN3OS — CID 711695

IUPAC2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESN#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)CCC2
InChIInChI=1S/C17H14FN3OS/c18-13-4-6-14(7-5-13)20-16(22)10-23-17-12(9-19)8-11-2-1-3-15(11)21-17/h4-8H,1-3,10H2,(H,20,22)
InChIKeyAHOHXJLCXPQANM-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.31
Rot. Bonds4

About 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 711695) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID711695
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESN#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)CCC2
InChIInChI=1S/C17H14FN3OS/c18-13-4-6-14(7-5-13)20-16(22)10-23-17-12(9-19)8-11-2-1-3-15(11)21-17/h4-8H,1-3,10H2,(H,20,22)
InChIKeyAHOHXJLCXPQANM-UHFFFAOYSA-N
XLogP3.31
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CID 711695) is 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)CCC2.
What is the InChIKey of 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is AHOHXJLCXPQANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-13-4-6-14(7-5-13)20-16(22)10-23-17-12(9-19)8-11-2-1-3-15(11)21-17/h4-8H,1-3,10H2,(H,20,22).
What are the key properties of 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 711695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).