2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

C23H20N6O2S — CID 176709714

IUPAC2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccn2)c(C#N)c1-c1ccc(OC[C@@H]2CCCO2)cn1
InChIInChI=1S/C23H20N6O2S/c24-10-18-21(20-7-6-16(12-28-20)31-13-17-5-3-9-30-17)19(11-25)23(29-22(18)26)32-14-15-4-1-2-8-27-15/h1-2,4,6-8,12,17H,3,5,9,13-14H2,(H2,26,29)/t17-/m0/s1
InChIKeyVAQLLOGPKZPJSV-KRWDZBQOSA-N
MW444.52 g/mol
LogP3.71
Rot. Bonds7

About 2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 176709714) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is 2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID176709714
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC Name2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccn2)c(C#N)c1-c1ccc(OC[C@@H]2CCCO2)cn1
InChIInChI=1S/C23H20N6O2S/c24-10-18-21(20-7-6-16(12-28-20)31-13-17-5-3-9-30-17)19(11-25)23(29-22(18)26)32-14-15-4-1-2-8-27-15/h1-2,4,6-8,12,17H,3,5,9,13-14H2,(H2,26,29)/t17-/m0/s1
InChIKeyVAQLLOGPKZPJSV-KRWDZBQOSA-N
XLogP3.71
TPSA130.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2-(3-fluoroazetidin-1-yl)-4-[5-(3-fluoropropyl)-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709700
2-amino-4-[5-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-6-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709856
2-amino-4-[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]-6-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709835
2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane
CID 176709770
2-bromo-5-(oxolan-2-ylmethoxy)pyridine
CID 104853752
4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile
CID 62936750
2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 28622191
2-amino-4-(4-ethoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 71175759
2-methyl-N-[[5-(oxolan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79794373
2-amino-6-benzylsulfanyl-4-[4-(2-methoxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710001
2-[[6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]sulfanyl]acetamide
CID 169433958
2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
CID 162307678

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile (CID 176709714) is 2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2ccccn2)c(C#N)c1-c1ccc(OC[C@@H]2CCCO2)cn1.
What is the InChIKey of 2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is VAQLLOGPKZPJSV-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20N6O2S/c24-10-18-21(20-7-6-16(12-28-20)31-13-17-5-3-9-30-17)19(11-25)23(29-22(18)26)32-14-15-4-1-2-8-27-15/h1-2,4,6-8,12,17H,3,5,9,13-14H2,(H2,26,29)/t17-/m0/s1.
What are the key properties of 2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 444.52 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 176709714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).