N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide

C14H19N3OS — CID 713770

IUPACN-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C14H19N3OS/c1-9-6-10(2)16-13(11(9)7-15)19-8-12(18)17-14(3,4)5/h6H,8H2,1-5H3,(H,17,18)
InChIKeyHZNVTDFRSYWPTF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.58
Rot. Bonds3

About N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide

N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 713770) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID713770
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C14H19N3OS/c1-9-6-10(2)16-13(11(9)7-15)19-8-12(18)17-14(3,4)5/h6H,8H2,1-5H3,(H,17,18)
InChIKeyHZNVTDFRSYWPTF-UHFFFAOYSA-N
XLogP2.58
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-
CID 676604
2-((3-Cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-phenylacetamide
CID 3288231
2-[(2-Cyclopropyl-2-oxoethyl)thio]-4,6-dimethyl-3-pyridinecarbonitrile
CID 683642
2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-cyclopentylpropanamide
CID 16307782
N-[3-(acetylamino)phenyl]-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 657970
2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-cyclopropylacetamide
CID 658164
N-benzyl-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-ethylacetamide
CID 5223232
2-(Benzylsulfanyl)-4,6-dimethylnicotinonitrile
CID 698489
4,6-Dimethyl-2-(2-piperidylethylthio)pyridine-3-carbonitrile
CID 725545
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N,N-diethylacetamide
CID 744025
2-((3-Cyano-6-(4-F-PH)-4-(trifluoromethyl)-2-pyridinyl)thio)-N-phenylacetamide
CID 3854561
2-(3-Cyano-6-methyl-4-phenyl-pyridin-2-ylsulfanyl)-acetamide
CID 648486

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide (CID 713770) is N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide is Cc1cc(C)c(C#N)c(SCC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is HZNVTDFRSYWPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-6-10(2)16-13(11(9)7-15)19-8-12(18)17-14(3,4)5/h6H,8H2,1-5H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 277.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 713770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).