2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide

C14H19N3OS — CID 744025

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(C)cc(C)c1C#N
InChIInChI=1S/C14H19N3OS/c1-5-17(6-2)13(18)9-19-14-12(8-15)10(3)7-11(4)16-14/h7H,5-6,9H2,1-4H3
InChIKeyPKPCZCWPPKZETC-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.53
Rot. Bonds5

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

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide (PubChem CID 744025) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide
PubChem CID744025
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(C)cc(C)c1C#N
InChIInChI=1S/C14H19N3OS/c1-5-17(6-2)13(18)9-19-14-12(8-15)10(3)7-11(4)16-14/h7H,5-6,9H2,1-4H3
InChIKeyPKPCZCWPPKZETC-UHFFFAOYSA-N
XLogP2.53
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-
CID 676604
2-[(2-Cyclopropyl-2-oxoethyl)thio]-4,6-dimethyl-3-pyridinecarbonitrile
CID 683642
4-Methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 690946
4,6-Dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile
CID 919961
2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-cyclopentylpropanamide
CID 16307782
2-{[3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 551775
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
2-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 710311
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide (CID 744025) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc(C)cc(C)c1C#N.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide?
The InChIKey is PKPCZCWPPKZETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-5-17(6-2)13(18)9-19-14-12(8-15)10(3)7-11(4)16-14/h7H,5-6,9H2,1-4H3.
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide has a molecular weight of 277.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 744025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).