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

C15H15FN2O2S — CID 111566028

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccc(C(=O)NCC(O)c2ccccc2F)cn1
InChIInChI=1S/C15H15FN2O2S/c1-21-14-7-6-10(8-17-14)15(20)18-9-13(19)11-4-2-3-5-12(11)16/h2-8,13,19H,9H2,1H3,(H,18,20)
InChIKeyFVFGCMHBJPJTPK-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.41
Rot. Bonds5

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

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide (PubChem CID 111566028) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
PubChem CID111566028
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccc(C(=O)NCC(O)c2ccccc2F)cn1
InChIInChI=1S/C15H15FN2O2S/c1-21-14-7-6-10(8-17-14)15(20)18-9-13(19)11-4-2-3-5-12(11)16/h2-8,13,19H,9H2,1H3,(H,18,20)
InChIKeyFVFGCMHBJPJTPK-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-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 110929854
N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide
CID 111112175
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
CID 74237551
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
4-(ethylsulfanylmethyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565953
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 111565960
4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565689
6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133351553
N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 111566262
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578636

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide (CID 111566028) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide is CSc1ccc(C(=O)NCC(O)c2ccccc2F)cn1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide?
The InChIKey is FVFGCMHBJPJTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-21-14-7-6-10(8-17-14)15(20)18-9-13(19)11-4-2-3-5-12(11)16/h2-8,13,19H,9H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide?
N-[2-(2-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-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 111566028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).