N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide

C14H11N3OS — CID 802295

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide
SMILESN#Cc1c(NC(=O)c2cccnc2)sc2c1CCC2
InChIInChI=1S/C14H11N3OS/c15-7-11-10-4-1-5-12(10)19-14(11)17-13(18)9-3-2-6-16-8-9/h2-3,6,8H,1,4-5H2,(H,17,18)
InChIKeyXAUVWKMXDUSPPU-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.76
Rot. Bonds2

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide (PubChem CID 802295) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide
PubChem CID802295
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide
SMILESN#Cc1c(NC(=O)c2cccnc2)sc2c1CCC2
InChIInChI=1S/C14H11N3OS/c15-7-11-10-4-1-5-12(10)19-14(11)17-13(18)9-3-2-6-16-8-9/h2-3,6,8H,1,4-5H2,(H,17,18)
InChIKeyXAUVWKMXDUSPPU-UHFFFAOYSA-N
XLogP2.76
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide (CID 802295) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide is N#Cc1c(NC(=O)c2cccnc2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide?
The InChIKey is XAUVWKMXDUSPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-7-11-10-4-1-5-12(10)19-14(11)17-13(18)9-3-2-6-16-8-9/h2-3,6,8H,1,4-5H2,(H,17,18).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 802295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).