2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide

C19H19N3O3S — CID 1002458

IUPAC2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide
SMILESCOc1ccc(-c2ccc(C#N)c(SCC(=O)NC3CC3)n2)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-24-16-8-4-12(9-17(16)25-2)15-7-3-13(10-20)19(22-15)26-11-18(23)21-14-5-6-14/h3-4,7-9,14H,5-6,11H2,1-2H3,(H,21,23)
InChIKeyBMFNILFFQZPOMK-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.01
Rot. Bonds7

About 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide

2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide (PubChem CID 1002458) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide
PubChem CID1002458
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide
SMILESCOc1ccc(-c2ccc(C#N)c(SCC(=O)NC3CC3)n2)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-24-16-8-4-12(9-17(16)25-2)15-7-3-13(10-20)19(22-15)26-11-18(23)21-14-5-6-14/h3-4,7-9,14H,5-6,11H2,1-2H3,(H,21,23)
InChIKeyBMFNILFFQZPOMK-UHFFFAOYSA-N
XLogP3.01
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide
CID 664621
2-[(3,4-Diethoxybenzyl)thio]-4-(methoxymethyl)-6-methylnicotinonitrile
CID 1045073
2-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 1239697
2-((3-Cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-(3-methylphenyl)acetamide
CID 3725176
Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate
CID 660388
2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-N-(2-furanylmethyl)acetamide
CID 1004339
2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 1004498
N-benzyl-2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanylacetamide
CID 1004501
2-{[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1023309
2-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile
CID 1089859
2-{[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl}-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 1201823
N-[2-(4-Chloro-phenyl)-ethyl]-2-[3-cyano-6-(3-methoxy-phenyl)-pyridin-2-ylsulfanyl]-acetamide
CID 1201829

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide (CID 1002458) is 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide is COc1ccc(-c2ccc(C#N)c(SCC(=O)NC3CC3)n2)cc1OC.
What is the InChIKey of 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide?
The InChIKey is BMFNILFFQZPOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-16-8-4-12(9-17(16)25-2)15-7-3-13(10-20)19(22-15)26-11-18(23)21-14-5-6-14/h3-4,7-9,14H,5-6,11H2,1-2H3,(H,21,23).
What are the key properties of 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide?
2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide has a molecular weight of 369.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-cyclopropylacetamide is sourced from PubChem (CID 1002458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).