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

C10H13ClN2OS — CID 115759484

IUPAC3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCSC(C)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-7(15-2)5-13-10(14)8-3-4-12-6-9(8)11/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyLOBGZNINAUUPLH-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.22
Rot. Bonds4

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

3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide (PubChem CID 115759484) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
PubChem CID115759484
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCSC(C)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-7(15-2)5-13-10(14)8-3-4-12-6-9(8)11/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyLOBGZNINAUUPLH-UHFFFAOYSA-N
XLogP2.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 103714844
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 66462020
3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115667227
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81066288
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 104578800
2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide
CID 106502147
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
CID 66482967

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide (CID 115759484) is 3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide is CSC(C)CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide?
The InChIKey is LOBGZNINAUUPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-7(15-2)5-13-10(14)8-3-4-12-6-9(8)11/h3-4,6-7H,5H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide?
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide has a molecular weight of 244.75 g/mol, XLogP of 2.22, 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-methylsulfanylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 115759484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).