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

C14H10ClN3OS — CID 60656530

IUPAC4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide
SMILESN#Cc1c(NC(=O)c2cc(Cl)ccn2)sc2c1CCC2
InChIInChI=1S/C14H10ClN3OS/c15-8-4-5-17-11(6-8)13(19)18-14-10(7-16)9-2-1-3-12(9)20-14/h4-6H,1-3H2,(H,18,19)
InChIKeyJTKARGFFZWAHLY-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.41
Rot. Bonds2

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

4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide (PubChem CID 60656530) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is 4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide
PubChem CID60656530
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide
SMILESN#Cc1c(NC(=O)c2cc(Cl)ccn2)sc2c1CCC2
InChIInChI=1S/C14H10ClN3OS/c15-8-4-5-17-11(6-8)13(19)18-14-10(7-16)9-2-1-3-12(9)20-14/h4-6H,1-3H2,(H,18,19)
InChIKeyJTKARGFFZWAHLY-UHFFFAOYSA-N
XLogP3.41
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 674018
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
5-bromo-2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 2415224
1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 61258931
4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 61116925
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3501252
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide
CID 167903436
2,5-dichloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-3-carboxamide
CID 4154952
5-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylbenzamide
CID 61289852
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-3-carboxamide
CID 841817
3-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxybenzamide
CID 958576

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide (CID 60656530) is 4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide is N#Cc1c(NC(=O)c2cc(Cl)ccn2)sc2c1CCC2.
What is the InChIKey of 4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide?
The InChIKey is JTKARGFFZWAHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c15-8-4-5-17-11(6-8)13(19)18-14-10(7-16)9-2-1-3-12(9)20-14/h4-6H,1-3H2,(H,18,19).
What are the key properties of 4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide?
4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide has a molecular weight of 303.77 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 60656530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).