4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide

C12H15ClN2OS — CID 115885297

IUPAC4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC2CCSCC2)cn1
InChIInChI=1S/C12H15ClN2OS/c1-8-6-11(13)10(7-14-8)12(16)15-9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H,15,16)
InChIKeyFUWNEKGZUBFOPE-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.67
Rot. Bonds2

About 4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide

4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide (PubChem CID 115885297) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide
PubChem CID115885297
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC2CCSCC2)cn1
InChIInChI=1S/C12H15ClN2OS/c1-8-6-11(13)10(7-14-8)12(16)15-9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H,15,16)
InChIKeyFUWNEKGZUBFOPE-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 81225864
4-chloro-N-(3,4-dimethylcyclohexyl)-6-methylpyridine-3-carboxamide
CID 81233008
4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81226364
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81232589
4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 159995696
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
4-chloro-N-(2-ethylcyclopropyl)-6-methylpyridine-3-carboxamide
CID 103893978
4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide
CID 81226462
N-cyclooctyl-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81233984
N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81226013
1-(2-chlorophenyl)-5-methyl-N-(thian-4-yl)pyrazole-4-carboxamide
CID 56788134
4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 81226891

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide (CID 115885297) is 4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NC2CCSCC2)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide?
The InChIKey is FUWNEKGZUBFOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-8-6-11(13)10(7-14-8)12(16)15-9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide?
4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide has a molecular weight of 270.78 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 115885297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).