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

C11H15ClN2O2S — CID 115729500

IUPAC4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide
SMILESCC(CCNC(=O)c1cc(Cl)ccn1)S(C)=O
InChIInChI=1S/C11H15ClN2O2S/c1-8(17(2)16)3-5-14-11(15)10-7-9(12)4-6-13-10/h4,6-8H,3,5H2,1-2H3,(H,14,15)
InChIKeyDWCHOJOIMLZQKO-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.62
Rot. Bonds5

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

4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide (PubChem CID 115729500) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide
PubChem CID115729500
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide
SMILESCC(CCNC(=O)c1cc(Cl)ccn1)S(C)=O
InChIInChI=1S/C11H15ClN2O2S/c1-8(17(2)16)3-5-14-11(15)10-7-9(12)4-6-13-10/h4,6-8H,3,5H2,1-2H3,(H,14,15)
InChIKeyDWCHOJOIMLZQKO-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

4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115604084
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide
CID 115869248
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
CID 105381610
4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437
4-chloro-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61053300
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
4-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62186873
4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide
CID 115635951
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-2-carboxamide
CID 62297092

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide (CID 115729500) is 4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide is CC(CCNC(=O)c1cc(Cl)ccn1)S(C)=O.
What is the InChIKey of 4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide?
The InChIKey is DWCHOJOIMLZQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-8(17(2)16)3-5-14-11(15)10-7-9(12)4-6-13-10/h4,6-8H,3,5H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide?
4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-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-2-carboxamide is sourced from PubChem (CID 115729500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).