5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

C11H15ClN2O2S — CID 75384422

IUPAC5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C11H15ClN2O2S/c1-7(10(6-15)17-2)14-11(16)9-4-3-8(12)5-13-9/h3-5,7,10,15H,6H2,1-2H3,(H,14,16)
InChIKeyIJRUIKJBOFSEIG-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.58
Rot. Bonds5

About 5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 75384422) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
PubChem CID75384422
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C11H15ClN2O2S/c1-7(10(6-15)17-2)14-11(16)9-4-3-8(12)5-13-9/h3-5,7,10,15H,6H2,1-2H3,(H,14,16)
InChIKeyIJRUIKJBOFSEIG-UHFFFAOYSA-N
XLogP1.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 106152400
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
4-chloro-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798690
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103798985
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809
5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide
CID 103782372
2,6-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103801255
6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103917016
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide
CID 104629795
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801450
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
CID 103798681

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (CID 75384422) is 5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is CSC(CO)C(C)NC(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is IJRUIKJBOFSEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-7(10(6-15)17-2)14-11(16)9-4-3-8(12)5-13-9/h3-5,7,10,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 274.77 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 75384422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).