N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide

C15H15FN2O2S — CID 110929854

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccc(C(=O)NCC(O)c2ccc(F)cc2)cn1
InChIInChI=1S/C15H15FN2O2S/c1-21-14-7-4-11(8-17-14)15(20)18-9-13(19)10-2-5-12(16)6-3-10/h2-8,13,19H,9H2,1H3,(H,18,20)
InChIKeyZGXALTCETQCVFD-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide (PubChem CID 110929854) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
PubChem CID110929854
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccc(C(=O)NCC(O)c2ccc(F)cc2)cn1
InChIInChI=1S/C15H15FN2O2S/c1-21-14-7-4-11(8-17-14)15(20)18-9-13(19)10-2-5-12(16)6-3-10/h2-8,13,19H,9H2,1H3,(H,18,20)
InChIKeyZGXALTCETQCVFD-UHFFFAOYSA-N
XLogP2.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide
CID 111112175
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 111566028
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
CID 110888923
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
CID 110888781
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide
CID 111424671
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111108380
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 110888066
methyl 4-[[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]carbamoyl]benzoate
CID 97416840
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 86980947
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide (CID 110929854) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide is CSc1ccc(C(=O)NCC(O)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide?
The InChIKey is ZGXALTCETQCVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-21-14-7-4-11(8-17-14)15(20)18-9-13(19)10-2-5-12(16)6-3-10/h2-8,13,19H,9H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 110929854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).