5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide

C12H15BrN2OS — CID 103708503

IUPAC5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
SMILESCSC1CCC(NC(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C12H15BrN2OS/c1-17-11-3-2-10(5-11)15-12(16)8-4-9(13)7-14-6-8/h4,6-7,10-11H,2-3,5H2,1H3,(H,15,16)
InChIKeyZRGFOFMTWVQCSG-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.86
Rot. Bonds3

About 5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide

5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide (PubChem CID 103708503) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
PubChem CID103708503
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
SMILESCSC1CCC(NC(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C12H15BrN2OS/c1-17-11-3-2-10(5-11)15-12(16)8-4-9(13)7-14-6-8/h4,6-7,10-11H,2-3,5H2,1H3,(H,15,16)
InChIKeyZRGFOFMTWVQCSG-UHFFFAOYSA-N
XLogP2.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 2823446
5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
CID 130552943
5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 1122328
3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103708502
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95984966
3-hydroxy-N-(3-methylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103762366
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103737055
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95985160
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide
CID 114122854
N-(1-azaspiro[5.5]undecan-4-yl)-5-bromopyridine-3-carboxamide
CID 43595738

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide (CID 103708503) is 5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide is CSC1CCC(NC(=O)c2cncc(Br)c2)C1.
What is the InChIKey of 5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide?
The InChIKey is ZRGFOFMTWVQCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-17-11-3-2-10(5-11)15-12(16)8-4-9(13)7-14-6-8/h4,6-7,10-11H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide?
5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide is sourced from PubChem (CID 103708503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).