4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile

C19H16N2O3S — CID 1315772

IUPAC4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccs3)nc(OC)c2C#N)cc1OC
InChIInChI=1S/C19H16N2O3S/c1-22-16-7-6-12(9-17(16)23-2)13-10-15(18-5-4-8-25-18)21-19(24-3)14(13)11-20/h4-10H,1-3H3
InChIKeyQDYVCORVEHEEFA-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.37
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile

4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 1315772) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID1315772
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccs3)nc(OC)c2C#N)cc1OC
InChIInChI=1S/C19H16N2O3S/c1-22-16-7-6-12(9-17(16)23-2)13-10-15(18-5-4-8-25-18)21-19(24-3)14(13)11-20/h4-10H,1-3H3
InChIKeyQDYVCORVEHEEFA-UHFFFAOYSA-N
XLogP4.37
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-4-(4-methylphenyl)-6-(2-thienyl)nicotinonitrile
CID 698201
2-[(3,4-Diethoxybenzyl)thio]-4-(methoxymethyl)-6-methylnicotinonitrile
CID 1045073
6,7-Dimethoxy-3-thiophen-3-ylisoquinoline
CID 25058227
Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate
CID 660388
2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile
CID 976746
4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile
CID 1049792
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanylacetamide
CID 1773629
2-(Allylsulfanyl)-6-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)nicotinonitrile
CID 2216825
4-(1,3-Benzodioxol-5-yl)-2-methoxy-6-phenylnicotinonitrile
CID 2807444
(Z)-3-(1,3-benzothiazol-2-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 118731371
2-[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic Acid
CID 1005211
5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 2-methoxy-4-(4-methoxyphenyl)-
CID 3087564

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile (CID 1315772) is 4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cccs3)nc(OC)c2C#N)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is QDYVCORVEHEEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-22-16-7-6-12(9-17(16)23-2)13-10-15(18-5-4-8-25-18)21-19(24-3)14(13)11-20/h4-10H,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile?
4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 352.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 1315772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).