2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane

C17H17F2N5OS — CID 176709770

IUPAC2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane
SMILESCC.CSc1nc(N)c(C#N)c(-c2ccc(OCC(F)F)cn2)c1C#N
InChIInChI=1S/C15H11F2N5OS.C2H6/c1-24-15-10(5-19)13(9(4-18)14(20)22-15)11-3-2-8(6-21-11)23-7-12(16)17;1-2/h2-3,6,12H,7H2,1H3,(H2,20,22);1-2H3
InChIKeySUALGMBCPRJJKN-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.86
Rot. Bonds5

About 2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane

2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane (PubChem CID 176709770) has the molecular formula C17H17F2N5OS and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane.

Molecular Properties

Compound Name2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane
PubChem CID176709770
Molecular FormulaC17H17F2N5OS
Molecular Weight377.42 g/mol
Exact Mass377.11
IUPAC Name2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane
SMILESCC.CSc1nc(N)c(C#N)c(-c2ccc(OCC(F)F)cn2)c1C#N
InChIInChI=1S/C15H11F2N5OS.C2H6/c1-24-15-10(5-19)13(9(4-18)14(20)22-15)11-3-2-8(6-21-11)23-7-12(16)17;1-2/h2-3,6,12H,7H2,1H3,(H2,20,22);1-2H3
InChIKeySUALGMBCPRJJKN-UHFFFAOYSA-N
XLogP3.86
TPSA108.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane with MolForge

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Related Compounds

2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709740
2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709728
2-amino-6-methylsulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
CID 760984
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-[[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
2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-(2-methoxyethylsulfanyl)pyridine-3,5-dicarbonitrile;ethane
CID 169151765
2-amino-4-[5-[[(2S)-oxolan-2-yl]methoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709714
2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11349923
ethane;4-[5-(2-methoxyethoxy)-2-pyridinyl]-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709805
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11255849

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane?
The IUPAC name of 2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane (CID 176709770) is 2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane.
What is the SMILES notation for 2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane?
The canonical SMILES for 2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane is CC.CSc1nc(N)c(C#N)c(-c2ccc(OCC(F)F)cn2)c1C#N.
What is the InChIKey of 2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane?
The InChIKey is SUALGMBCPRJJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5OS.C2H6/c1-24-15-10(5-19)13(9(4-18)14(20)22-15)11-3-2-8(6-21-11)23-7-12(16)17;1-2/h2-3,6,12H,7H2,1H3,(H2,20,22);1-2H3.
What are the key properties of 2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane?
2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane has a molecular weight of 377.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane is sourced from PubChem (CID 176709770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).