5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide

C20H21N3O2S — CID 30036453

IUPAC5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide
SMILESCc1nc(SC[C@@H]2CCCCO2)c(C#N)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-14-18(19(24)23-16-7-3-2-4-8-16)11-15(12-21)20(22-14)26-13-17-9-5-6-10-25-17/h2-4,7-8,11,17H,5-6,9-10,13H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyMGRGGSXTFPUFNZ-KRWDZBQOSA-N
MW367.47 g/mol
LogP4.18
Rot. Bonds5

About 5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide

5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide (PubChem CID 30036453) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide
PubChem CID30036453
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide
SMILESCc1nc(SC[C@@H]2CCCCO2)c(C#N)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-14-18(19(24)23-16-7-3-2-4-8-16)11-15(12-21)20(22-14)26-13-17-9-5-6-10-25-17/h2-4,7-8,11,17H,5-6,9-10,13H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyMGRGGSXTFPUFNZ-KRWDZBQOSA-N
XLogP4.18
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-2-methyl-N-phenyl-6-(2-propan-2-yloxyethylsulfanyl)pyridine-3-carboxamide
CID 24675134
2-amino-5-cyano-6-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
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2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 155968405
ethyl 5-cyano-2-methyl-6-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 24597686
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 42888884
2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 36624834
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091
2-amino-5-cyano-6-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 31753049
5-acetyl-2-[[(1R)-2,2-dichlorocyclopropyl]methylsulfanyl]-6-methylpyridine-3-carbonitrile
CID 51545387
4-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide
CID 2216906

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide (CID 30036453) is 5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide is Cc1nc(SC[C@@H]2CCCCO2)c(C#N)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide?
The InChIKey is MGRGGSXTFPUFNZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-18(19(24)23-16-7-3-2-4-8-16)11-15(12-21)20(22-14)26-13-17-9-5-6-10-25-17/h2-4,7-8,11,17H,5-6,9-10,13H2,1H3,(H,23,24)/t17-/m0/s1.
What are the key properties of 5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide?
5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 30036453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).