2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

C22H20N6O2S — CID 176709740

IUPAC2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESCO[C@H](C)COc1ccc(-c2c(C#N)c(N)nc(SCc3ccccn3)c2C#N)nc1
InChIInChI=1S/C22H20N6O2S/c1-14(29-2)12-30-16-6-7-19(27-11-16)20-17(9-23)21(25)28-22(18(20)10-24)31-13-15-5-3-4-8-26-15/h3-8,11,14H,12-13H2,1-2H3,(H2,25,28)/t14-/m1/s1
InChIKeyGUGRCGAYVOQJAG-CQSZACIVSA-N
MW432.51 g/mol
LogP3.57
Rot. Bonds8

About 2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 176709740) has the molecular formula C22H20N6O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID176709740
Molecular FormulaC22H20N6O2S
Molecular Weight432.51 g/mol
Exact Mass432.14
IUPAC Name2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESCO[C@H](C)COc1ccc(-c2c(C#N)c(N)nc(SCc3ccccn3)c2C#N)nc1
InChIInChI=1S/C22H20N6O2S/c1-14(29-2)12-30-16-6-7-19(27-11-16)20-17(9-23)21(25)28-22(18(20)10-24)31-13-15-5-3-4-8-26-15/h3-8,11,14H,12-13H2,1-2H3,(H2,25,28)/t14-/m1/s1
InChIKeyGUGRCGAYVOQJAG-CQSZACIVSA-N
XLogP3.57
TPSA130.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709714
2-amino-4-[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]-6-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709835
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-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane
CID 176709770
2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709728
2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11164346
2-(3-fluoroazetidin-1-yl)-4-[5-(3-fluoropropyl)-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709700
2-[[6-amino-3,5-dicyano-4-[4-(2-methylpropoxy)phenyl]-2-pyridinyl]sulfanyl]acetamide
CID 143294251
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
3-(pyridin-2-ylmethylsulfanyl)pyrazin-2-amine
CID 106679150
2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 28622191
2-amino-6-benzylsulfanyl-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710171

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile (CID 176709740) is 2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile is CO[C@H](C)COc1ccc(-c2c(C#N)c(N)nc(SCc3ccccn3)c2C#N)nc1.
What is the InChIKey of 2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is GUGRCGAYVOQJAG-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20N6O2S/c1-14(29-2)12-30-16-6-7-19(27-11-16)20-17(9-23)21(25)28-22(18(20)10-24)31-13-15-5-3-4-8-26-15/h3-8,11,14H,12-13H2,1-2H3,(H2,25,28)/t14-/m1/s1.
What are the key properties of 2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 432.51 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 176709740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).