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

C11H15ClN2O2S — CID 113239570

IUPAC4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C11H15ClN2O2S/c1-11(16,7-17-2)6-14-10(15)9-5-8(12)3-4-13-9/h3-5,16H,6-7H2,1-2H3,(H,14,15)
InChIKeyKEESIYJNMPPRIH-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.58
Rot. Bonds5

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

4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide (PubChem CID 113239570) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
PubChem CID113239570
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C11H15ClN2O2S/c1-11(16,7-17-2)6-14-10(15)9-5-8(12)3-4-13-9/h3-5,16H,6-7H2,1-2H3,(H,14,15)
InChIKeyKEESIYJNMPPRIH-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

4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
CID 103712367
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 103899472
5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113245885
5,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113239579
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)isoquinoline-1-carboxamide
CID 103681634
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylbenzamide
CID 103773567
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 106244209
N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide
CID 95773940
4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115604084
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide (CID 113239570) is 4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide is CSCC(C)(O)CNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide?
The InChIKey is KEESIYJNMPPRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-11(16,7-17-2)6-14-10(15)9-5-8(12)3-4-13-9/h3-5,16H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide?
4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)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 4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 113239570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).