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

C17H17N3OS — CID 3273373

IUPAC2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
SMILESCc1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C)c1C
InChIInChI=1S/C17H17N3OS/c1-10-11(2)14(9-18)17(20-12(10)3)22-15(16(19)21)13-7-5-4-6-8-13/h4-8,15H,1-3H3,(H2,19,21)
InChIKeyAHNSVLXRPVZMJI-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.20
Rot. Bonds4

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

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide (PubChem CID 3273373) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
PubChem CID3273373
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
SMILESCc1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C)c1C
InChIInChI=1S/C17H17N3OS/c1-10-11(2)14(9-18)17(20-12(10)3)22-15(16(19)21)13-7-5-4-6-8-13/h4-8,15H,1-3H3,(H2,19,21)
InChIKeyAHNSVLXRPVZMJI-UHFFFAOYSA-N
XLogP3.20
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Butyramide, N-(6-isopropyl-2-methylsulfanylpyridin-3-ylmethyl)-3-phenyl-
CID 3605388
2-((3-Cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-phenylacetamide
CID 3288231
(R)-2-((3,5-dicyano-6-(dimethylamino)-4-ethylpyridin-2-yl)thio)-2-phenylacetamide
CID 132233666
N-[3-(acetylamino)phenyl]-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 657970
2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide
CID 929998
N-benzyl-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-ethylacetamide
CID 5223232
2-(Benzylsulfanyl)-4,6-dimethylnicotinonitrile
CID 698489
6-Methyl-2-((2-oxo-2-phenylethyl)sulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 569520
(Rac)-GSK-3484862
CID 132233424
2-(3-Cyano-6-methyl-4-phenyl-pyridin-2-ylsulfanyl)-acetamide
CID 648486
2-[2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetylamino]-benzamide
CID 655086
2-{[2-(4-Methylphenyl)-2-oxoethyl]sulfanyl}-6-phenylpyridine-3-carbonitrile
CID 690226

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide?
The IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide (CID 3273373) is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide.
What is the SMILES notation for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide?
The canonical SMILES for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide is Cc1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C)c1C.
What is the InChIKey of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide?
The InChIKey is AHNSVLXRPVZMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-10-11(2)14(9-18)17(20-12(10)3)22-15(16(19)21)13-7-5-4-6-8-13/h4-8,15H,1-3H3,(H2,19,21).
What are the key properties of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide?
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide has a molecular weight of 311.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 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]-2-phenylacetamide is sourced from PubChem (CID 3273373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).