2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide

C19H16N2O2S — CID 60564666

IUPAC2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide
SMILESCSc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccn1
InChIInChI=1S/C19H16N2O2S/c1-24-18-13-14(11-12-20-18)19(22)21-16-9-5-6-10-17(16)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)
InChIKeyJYHLWLGAOUJQKM-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.85
Rot. Bonds5

About 2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide

2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide (PubChem CID 60564666) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide
PubChem CID60564666
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide
SMILESCSc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccn1
InChIInChI=1S/C19H16N2O2S/c1-24-18-13-14(11-12-20-18)19(22)21-16-9-5-6-10-17(16)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)
InChIKeyJYHLWLGAOUJQKM-UHFFFAOYSA-N
XLogP4.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide
CID 43980865
2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
CID 60565493
2-N,2-N-diethyl-4-N-(2-phenoxyphenyl)pyridine-2,4-dicarboxamide
CID 109088996
N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 109166024
N-(2-phenoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525572
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
4-ethoxy-3-methoxy-N-(2-phenoxyphenyl)benzamide
CID 24583790
N-(2-phenoxyphenyl)pyrido[2,3-b]pyrazine-7-carboxamide
CID 110863703
2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 60566678
4-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730044
2-phenoxy-N-phenylpyridine-4-carboxamide
CID 19093380

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide (CID 60564666) is 2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide is CSc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccn1.
What is the InChIKey of 2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide?
The InChIKey is JYHLWLGAOUJQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-24-18-13-14(11-12-20-18)19(22)21-16-9-5-6-10-17(16)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22).
What are the key properties of 2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide?
2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 60564666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).