6-methylsulfanyl-2-phenoxypyridine-3-carboxamide

C13H12N2O2S — CID 142991898

IUPAC6-methylsulfanyl-2-phenoxypyridine-3-carboxamide
SMILESCSc1ccc(C(N)=O)c(Oc2ccccc2)n1
InChIInChI=1S/C13H12N2O2S/c1-18-11-8-7-10(12(14)16)13(15-11)17-9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16)
InChIKeyGWRQEKASUHFTGY-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.69
Rot. Bonds4

About 6-methylsulfanyl-2-phenoxypyridine-3-carboxamide

6-methylsulfanyl-2-phenoxypyridine-3-carboxamide (PubChem CID 142991898) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-methylsulfanyl-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-methylsulfanyl-2-phenoxypyridine-3-carboxamide
PubChem CID142991898
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name6-methylsulfanyl-2-phenoxypyridine-3-carboxamide
SMILESCSc1ccc(C(N)=O)c(Oc2ccccc2)n1
InChIInChI=1S/C13H12N2O2S/c1-18-11-8-7-10(12(14)16)13(15-11)17-9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16)
InChIKeyGWRQEKASUHFTGY-UHFFFAOYSA-N
XLogP2.69
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118038351
2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboxamide
CID 79868967
6-methyl-2-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 106486726
6-chloro-2-phenoxypyridine-3-carboxylic acid
CID 63376812
6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118043277
6-[4-(1-amino-2-oxobut-3-enyl)phenyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 174944416
6-[3-(3-methylbut-2-enoyl)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118043181
N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79874596
2-fluoro-3-phenoxybenzamide
CID 58104414
2-(4-phenoxyphenoxy)-6-[(1S)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyridine-3-carboxamide
CID 138722523
(4-nitrophenyl) 4-[5-carbamoyl-6-(4-phenoxyphenoxy)-2-pyridinyl]piperazine-1-carboxylate
CID 118038069
ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate
CID 170718105

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-phenoxypyridine-3-carboxamide?
The IUPAC name of 6-methylsulfanyl-2-phenoxypyridine-3-carboxamide (CID 142991898) is 6-methylsulfanyl-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for 6-methylsulfanyl-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for 6-methylsulfanyl-2-phenoxypyridine-3-carboxamide is CSc1ccc(C(N)=O)c(Oc2ccccc2)n1.
What is the InChIKey of 6-methylsulfanyl-2-phenoxypyridine-3-carboxamide?
The InChIKey is GWRQEKASUHFTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-18-11-8-7-10(12(14)16)13(15-11)17-9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16).
What are the key properties of 6-methylsulfanyl-2-phenoxypyridine-3-carboxamide?
6-methylsulfanyl-2-phenoxypyridine-3-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 142991898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).