2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C17H13N3S — CID 60969662

IUPAC2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Nc1ccc3sccc3c1)CCC2
InChIInChI=1S/C17H13N3S/c18-10-13-8-11-2-1-3-15(11)20-17(13)19-14-4-5-16-12(9-14)6-7-21-16/h4-9H,1-3H2,(H,19,20)
InChIKeyFLJHLCKICBSFMQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.40
Rot. Bonds2

About 2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 60969662) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID60969662
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Nc1ccc3sccc3c1)CCC2
InChIInChI=1S/C17H13N3S/c18-10-13-8-11-2-1-3-15(11)20-17(13)19-14-4-5-16-12(9-14)6-7-21-16/h4-9H,1-3H2,(H,19,20)
InChIKeyFLJHLCKICBSFMQ-UHFFFAOYSA-N
XLogP4.40
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 60969662) is 2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1Nc1ccc3sccc3c1)CCC2.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is FLJHLCKICBSFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c18-10-13-8-11-2-1-3-15(11)20-17(13)19-14-4-5-16-12(9-14)6-7-21-16/h4-9H,1-3H2,(H,19,20).
What are the key properties of 2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 291.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 60969662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).