N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide

C16H17ClN2O2S — CID 44532966

IUPACN-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide
SMILESCC(C)CSc1cc(C(=O)Nc2cc(Cl)ccc2O)ccn1
InChIInChI=1S/C16H17ClN2O2S/c1-10(2)9-22-15-7-11(5-6-18-15)16(21)19-13-8-12(17)3-4-14(13)20/h3-8,10,20H,9H2,1-2H3,(H,19,21)
InChIKeyRHWWFQAORPSUQL-UHFFFAOYSA-N
MW336.84 g/mol
LogP4.44
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide

N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide (PubChem CID 44532966) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide
PubChem CID44532966
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide
SMILESCC(C)CSc1cc(C(=O)Nc2cc(Cl)ccc2O)ccn1
InChIInChI=1S/C16H17ClN2O2S/c1-10(2)9-22-15-7-11(5-6-18-15)16(21)19-13-8-12(17)3-4-14(13)20/h3-8,10,20H,9H2,1-2H3,(H,19,21)
InChIKeyRHWWFQAORPSUQL-UHFFFAOYSA-N
XLogP4.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N1-(2-hydroxy-4-methylphenyl)-4-[(2-pyridylthio)methyl]benzamide
CID 2797964
6-({2-[(5-Chloro-2-Methoxyphenyl)amino]-2-Oxoethyl}sulfanyl)pyridine-3-Carboxylic Acid
CID 23605664
N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide
CID 837857
N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide
CID 4800474
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 136231518
3-chloro-N-[2-hydroxy-5-(trifluoromethylthio)phenyl]isonicotinamide
CID 66881883
2-chloro-5-fluoro-N-[2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 141719682
N-[3-chloro-2-hydroxy-5-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 144174786
N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969003
2-[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 1174564
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-4-carboxamide
CID 18740344
2-chloro-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
CID 47360946

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide (CID 44532966) is N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide is CC(C)CSc1cc(C(=O)Nc2cc(Cl)ccc2O)ccn1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide?
The InChIKey is RHWWFQAORPSUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-10(2)9-22-15-7-11(5-6-18-15)16(21)19-13-8-12(17)3-4-14(13)20/h3-8,10,20H,9H2,1-2H3,(H,19,21).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide has a molecular weight of 336.84 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide is sourced from PubChem (CID 44532966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).