2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile

C19H11ClN4OS2 — CID 46838967

IUPAC2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccsc1
InChIInChI=1S/C19H11ClN4OS2/c20-13-3-1-11(2-4-13)16(25)10-27-19-15(8-22)17(12-5-6-26-9-12)14(7-21)18(23)24-19/h1-6,9H,10H2,(H2,23,24)
InChIKeyIGWMATWUOJUJRZ-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.76
Rot. Bonds5

About 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile

2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile (PubChem CID 46838967) has the molecular formula C19H11ClN4OS2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile
PubChem CID46838967
Molecular FormulaC19H11ClN4OS2
Molecular Weight410.91 g/mol
Exact Mass410.01
IUPAC Name2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccsc1
InChIInChI=1S/C19H11ClN4OS2/c20-13-3-1-11(2-4-13)16(25)10-27-19-15(8-22)17(12-5-6-26-9-12)14(7-21)18(23)24-19/h1-6,9H,10H2,(H2,23,24)
InChIKeyIGWMATWUOJUJRZ-UHFFFAOYSA-N
XLogP4.76
TPSA103.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2-Amino-6-[(2-oxo-2-phenylethyl)sulfanyl]-4-(3-thienyl)pyridine-3,5-dicarbonitrile
CID 46838966
2-Amino-4-ethyl-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
CID 745533
3,6-Diamino-2-(4-chlorobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 1509269
2-Amino-6-[(4-chlorophenyl)sulfanyl]-4-(thiophen-2-yl)pyridine-3,5-dicarbonitrile
CID 2818995
2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-4-(3-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 46838819
2-Amino-6-[(4-chlorobenzyl)sulfanyl]-4-(3-thienyl)pyridine-3,5-dicarbonitrile
CID 46838962
2-Amino-6-[(3,4-dichlorobenzyl)sulfanyl]-4-(3-thienyl)pyridine-3,5-dicarbonitrile
CID 46838965
2-Amino-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-(3-thienyl)pyridine-3,5-dicarbonitrile
CID 46839102
2-Amino-6-({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)-4-(3-thienyl)pyridine-3,5-dicarbonitrile
CID 46839104
3,6-Diamino-2-(3-chlorobenzoyl)-4-(2-thienyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 51348134
2-Amino-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 786029
3,6-Diamino-2-(4-chlorobenzoyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 1285623

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile (CID 46838967) is 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccsc1.
What is the InChIKey of 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
The InChIKey is IGWMATWUOJUJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4OS2/c20-13-3-1-11(2-4-13)16(25)10-27-19-15(8-22)17(12-5-6-26-9-12)14(7-21)18(23)24-19/h1-6,9H,10H2,(H2,23,24).
What are the key properties of 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile has a molecular weight of 410.91 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 46838967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).