2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile

C17H11N5S2 — CID 660289

IUPAC2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccncc2)c(C#N)c1-c1cccs1
InChIInChI=1S/C17H11N5S2/c18-8-12-15(14-2-1-7-23-14)13(9-19)17(22-16(12)20)24-10-11-3-5-21-6-4-11/h1-7H,10H2,(H2,20,22)
InChIKeyGZVBMZVUQHYVFH-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.82
Rot. Bonds4

About 2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile

2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (PubChem CID 660289) has the molecular formula C17H11N5S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
PubChem CID660289
Molecular FormulaC17H11N5S2
Molecular Weight349.44 g/mol
Exact Mass349.05
IUPAC Name2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccncc2)c(C#N)c1-c1cccs1
InChIInChI=1S/C17H11N5S2/c18-8-12-15(14-2-1-7-23-14)13(9-19)17(22-16(12)20)24-10-11-3-5-21-6-4-11/h1-7H,10H2,(H2,20,22)
InChIKeyGZVBMZVUQHYVFH-UHFFFAOYSA-N
XLogP3.82
TPSA99.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-Amino-2-(2-pyridylmethylthio)-4-(2-thienyl)pyridine-3,5-dicarbonitrile
CID 658085
2-Amino-6-pyridin-3-yl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 662367
6-Amino-4-(thiophen-2-yl)-2,2'-bipyridine-5-carbonitrile
CID 665499
2-(Pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 947049
2-Amino-6-[(3-methylbenzyl)sulfanyl]-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 1201836
2-Amino-6-(butylsulfanyl)-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 660914
2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
CID 1086290
2-Amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile
CID 28622387
5-(4-Pyridin-3-ylthiophen-2-yl)pyridin-2-amine
CID 145991505
3,5-Difluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine-2,6-diamine
CID 118903771
3,5,6-Trifluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridin-2-amine
CID 118911853
5-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3233967

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (CID 660289) is 2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2ccncc2)c(C#N)c1-c1cccs1.
What is the InChIKey of 2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The InChIKey is GZVBMZVUQHYVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5S2/c18-8-12-15(14-2-1-7-23-14)13(9-19)17(22-16(12)20)24-10-11-3-5-21-6-4-11/h1-7H,10H2,(H2,20,22).
What are the key properties of 2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile has a molecular weight of 349.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 660289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).