4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide

C11H15ClN2O2S — CID 115869248

IUPAC4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide
SMILESCC(CCNC(=O)c1cnccc1Cl)S(C)=O
InChIInChI=1S/C11H15ClN2O2S/c1-8(17(2)16)3-6-14-11(15)9-7-13-5-4-10(9)12/h4-5,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyYONWAXJFKYQYLP-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.62
Rot. Bonds5

About 4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide

4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide (PubChem CID 115869248) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide
PubChem CID115869248
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide
SMILESCC(CCNC(=O)c1cnccc1Cl)S(C)=O
InChIInChI=1S/C11H15ClN2O2S/c1-8(17(2)16)3-6-14-11(15)9-7-13-5-4-10(9)12/h4-5,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyYONWAXJFKYQYLP-UHFFFAOYSA-N
XLogP1.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
CID 105381610
4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide
CID 115729500
2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide
CID 113262853
4-chloro-N-pent-3-ynylpyridine-3-carboxamide
CID 104581063
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
N-(4-aminobutyl)-4-chloropyridine-3-carboxamide
CID 81227353
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
2-(2-chlorophenyl)-N-[(3S)-3-[(R)-methylsulfinyl]butyl]quinoline-4-carboxamide
CID 97086947
1-amino-N-(3-methylsulfinylbutyl)isoquinoline-4-carboxamide
CID 106772878
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide
CID 104927006
2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide
CID 115735985

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide (CID 115869248) is 4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide is CC(CCNC(=O)c1cnccc1Cl)S(C)=O.
What is the InChIKey of 4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide?
The InChIKey is YONWAXJFKYQYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-8(17(2)16)3-6-14-11(15)9-7-13-5-4-10(9)12/h4-5,7-8H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide?
4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide has a molecular weight of 274.77 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 115869248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).