4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide

C12H15ClN2OS — CID 103708467

IUPAC4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide
SMILESCSC1CCC(NC(=O)c2cc(Cl)ccn2)C1
InChIInChI=1S/C12H15ClN2OS/c1-17-10-3-2-9(7-10)15-12(16)11-6-8(13)4-5-14-11/h4-6,9-10H,2-3,7H2,1H3,(H,15,16)
InChIKeyREJOXBVPFLNKPU-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.75
Rot. Bonds3

About 4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide

4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide (PubChem CID 103708467) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide
PubChem CID103708467
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide
SMILESCSC1CCC(NC(=O)c2cc(Cl)ccn2)C1
InChIInChI=1S/C12H15ClN2OS/c1-17-10-3-2-9(7-10)15-12(16)11-6-8(13)4-5-14-11/h4-6,9-10H,2-3,7H2,1H3,(H,15,16)
InChIKeyREJOXBVPFLNKPU-UHFFFAOYSA-N
XLogP2.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 43244106
4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 79005580
4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide
CID 115696706
3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide
CID 114122854
5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide
CID 114124411
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 32584074
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669402
3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103737055
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
4-chloro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82725262
2,3,6-trifluoro-N-(3-methylsulfanylcyclopentyl)benzamide
CID 86816211
3-hydroxy-N-(3-methylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103762366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide (CID 103708467) is 4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide is CSC1CCC(NC(=O)c2cc(Cl)ccn2)C1.
What is the InChIKey of 4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide?
The InChIKey is REJOXBVPFLNKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-17-10-3-2-9(7-10)15-12(16)11-6-8(13)4-5-14-11/h4-6,9-10H,2-3,7H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide?
4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide has a molecular weight of 270.78 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide is sourced from PubChem (CID 103708467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).