2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide

C19H21N3OS — CID 42894331

IUPAC2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
SMILESCc1nc(SC(C(=O)N(C)C)c2ccccc2)c(C#N)c(C)c1C
InChIInChI=1S/C19H21N3OS/c1-12-13(2)16(11-20)18(21-14(12)3)24-17(19(23)22(4)5)15-9-7-6-8-10-15/h6-10,17H,1-5H3
InChIKeyUSWXPPBNKCYXDK-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.80
Rot. Bonds4

About 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide (PubChem CID 42894331) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
PubChem CID42894331
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
SMILESCc1nc(SC(C(=O)N(C)C)c2ccccc2)c(C#N)c(C)c1C
InChIInChI=1S/C19H21N3OS/c1-12-13(2)16(11-20)18(21-14(12)3)24-17(19(23)22(4)5)15-9-7-6-8-10-15/h6-10,17H,1-5H3
InChIKeyUSWXPPBNKCYXDK-UHFFFAOYSA-N
XLogP3.80
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
CID 7338416
(2S)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 7491383
(2R)-N,N-dimethyl-2-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 51952099
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)sulfanyl]-2-phenylacetic acid
CID 143568493
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetic acid
CID 695730
2-amino-5-cyano-6-[2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55392955
(2S)-2-[[5-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 27765782
N,N-dimethyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 17475506
2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53270242
(2S)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41250875
(2S)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40646942

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide (CID 42894331) is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide is Cc1nc(SC(C(=O)N(C)C)c2ccccc2)c(C#N)c(C)c1C.
What is the InChIKey of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is USWXPPBNKCYXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-12-13(2)16(11-20)18(21-14(12)3)24-17(19(23)22(4)5)15-9-7-6-8-10-15/h6-10,17H,1-5H3.
What are the key properties of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide?
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 339.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 42894331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).