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

C19H21N3OS — CID 5223232

IUPACN-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(C)c1C#N
InChIInChI=1S/C19H21N3OS/c1-4-22(12-16-8-6-5-7-9-16)18(23)13-24-19-17(11-20)14(2)10-15(3)21-19/h5-10H,4,12-13H2,1-3H3
InChIKeyWINVEZIECVRQCS-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.71
Rot. Bonds6

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

N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide (PubChem CID 5223232) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide
PubChem CID5223232
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(C)c1C#N
InChIInChI=1S/C19H21N3OS/c1-4-22(12-16-8-6-5-7-9-16)18(23)13-24-19-17(11-20)14(2)10-15(3)21-19/h5-10H,4,12-13H2,1-3H3
InChIKeyWINVEZIECVRQCS-UHFFFAOYSA-N
XLogP3.71
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl({2-[(6-phenylpyridin-2-yl)sulfanyl]ethyl})amine
CID 9881600
4-Methyl-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 710280
2-((3-Cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-phenylacetamide
CID 3288231
4,6-Dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile
CID 919961
N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2097612
N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide
CID 2409158
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
2-(Benzylsulfanyl)-4,6-dimethylnicotinonitrile
CID 698489

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide (CID 5223232) is N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(C)c1C#N.
What is the InChIKey of N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide?
The InChIKey is WINVEZIECVRQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-4-22(12-16-8-6-5-7-9-16)18(23)13-24-19-17(11-20)14(2)10-15(3)21-19/h5-10H,4,12-13H2,1-3H3.
What are the key properties of N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide?
N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide has a molecular weight of 339.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide is sourced from PubChem (CID 5223232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).