3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide

C11H15ClN2OS — CID 115667227

IUPAC3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCSC(C)(C)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-11(2,16-3)7-14-10(15)8-4-5-13-6-9(8)12/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyWIHXAHAFBDSXSG-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.61
Rot. Bonds4

About 3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide

3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide (PubChem CID 115667227) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
PubChem CID115667227
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCSC(C)(C)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-11(2,16-3)7-14-10(15)8-4-5-13-6-9(8)12/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyWIHXAHAFBDSXSG-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114942605
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
5-chloro-2-(ethylamino)-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114924529
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464016
3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 103714844
N-but-2-ynyl-3-chloropyridine-4-carboxamide
CID 115866885
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
CID 66481995
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide (CID 115667227) is 3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide is CSC(C)(C)CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide?
The InChIKey is WIHXAHAFBDSXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-11(2,16-3)7-14-10(15)8-4-5-13-6-9(8)12/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide?
3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide has a molecular weight of 258.77 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 115667227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).