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

C14H13ClN2OS — CID 61215827

IUPAC6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cc2c(s1)CCC2)c1ccc(Cl)nc1
InChIInChI=1S/C14H13ClN2OS/c15-13-5-4-10(7-16-13)14(18)17-8-11-6-9-2-1-3-12(9)19-11/h4-7H,1-3,8H2,(H,17,18)
InChIKeyAERYDKUXVHEOML-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.22
Rot. Bonds3

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

6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 61215827) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID61215827
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cc2c(s1)CCC2)c1ccc(Cl)nc1
InChIInChI=1S/C14H13ClN2OS/c15-13-5-4-10(7-16-13)14(18)17-8-11-6-9-2-1-3-12(9)19-11/h4-7H,1-3,8H2,(H,17,18)
InChIKeyAERYDKUXVHEOML-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62000467
4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 82812054
4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61208774
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide
CID 63718466
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61207570
2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 107952210
2-[2-(aminomethyl)phenyl]-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)acetamide
CID 81312193
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
N-[(3-bromothiophen-2-yl)methyl]-6-chloropyridine-3-carboxamide
CID 78986104
3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 62728528
2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66378252
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 61215827) is 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cc2c(s1)CCC2)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AERYDKUXVHEOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-13-5-4-10(7-16-13)14(18)17-8-11-6-9-2-1-3-12(9)19-11/h4-7H,1-3,8H2,(H,17,18).
What are the key properties of 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide?
6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 292.79 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 61215827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).