2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile

C20H17N5OS — CID 8562130

IUPAC2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SCC(=O)N2CC=C(c3ccccc3)CC2)nc1N
InChIInChI=1S/C20H17N5OS/c21-11-16-10-17(12-22)20(24-19(16)23)27-13-18(26)25-8-6-15(7-9-25)14-4-2-1-3-5-14/h1-6,10H,7-9,13H2,(H2,23,24)
InChIKeyDCZQCTMGXFPSEV-UHFFFAOYSA-N
MW375.46 g/mol
LogP2.82
Rot. Bonds4

About 2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile

2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 8562130) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
PubChem CID8562130
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SCC(=O)N2CC=C(c3ccccc3)CC2)nc1N
InChIInChI=1S/C20H17N5OS/c21-11-16-10-17(12-22)20(24-19(16)23)27-13-18(26)25-8-6-15(7-9-25)14-4-2-1-3-5-14/h1-6,10H,7-9,13H2,(H2,23,24)
InChIKeyDCZQCTMGXFPSEV-UHFFFAOYSA-N
XLogP2.82
TPSA106.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8582061
2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
CID 75401882
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 18106499
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 911685
2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135717587
5-nitro-2-oxo-1-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine-3-carbonitrile
CID 8632551
2-amino-5-cyano-6-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55368988
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] acetate
CID 140988563
3-amino-3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 64685858
methyl 2-[6-oxo-2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanyl-1H-pyrimidin-4-yl]acetate
CID 135780715
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 1244717
4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 21105437

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile (CID 8562130) is 2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(SCC(=O)N2CC=C(c3ccccc3)CC2)nc1N.
What is the InChIKey of 2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is DCZQCTMGXFPSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c21-11-16-10-17(12-22)20(24-19(16)23)27-13-18(26)25-8-6-15(7-9-25)14-4-2-1-3-5-14/h1-6,10H,7-9,13H2,(H2,23,24).
What are the key properties of 2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile?
2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 375.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 8562130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).