4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile

C19H16N4O3S — CID 143926924

IUPAC4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile
SMILESCS(=O)(=O)c1ccc(Nc2cc(N)c(C#N)c(Oc3ccccc3)n2)cc1
InChIInChI=1S/C19H16N4O3S/c1-27(24,25)15-9-7-13(8-10-15)22-18-11-17(21)16(12-20)19(23-18)26-14-5-3-2-4-6-14/h2-11H,1H3,(H3,21,22,23)
InChIKeyIYAUDSGNBIYHFO-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.47
Rot. Bonds5

About 4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile

4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile (PubChem CID 143926924) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile
PubChem CID143926924
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile
SMILESCS(=O)(=O)c1ccc(Nc2cc(N)c(C#N)c(Oc3ccccc3)n2)cc1
InChIInChI=1S/C19H16N4O3S/c1-27(24,25)15-9-7-13(8-10-15)22-18-11-17(21)16(12-20)19(23-18)26-14-5-3-2-4-6-14/h2-11H,1H3,(H3,21,22,23)
InChIKeyIYAUDSGNBIYHFO-UHFFFAOYSA-N
XLogP3.47
TPSA118.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzohydrazide
CID 143926935
ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate
CID 70924888
4-amino-6-[4-(1,3-oxazol-5-yl)anilino]-2-phenoxypyridine-3-carbonitrile
CID 70924698
4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile
CID 143926739
4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile
CID 143926928
4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
CID 70924701
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
CID 70924877
4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide
CID 143926904
4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile
CID 61175342
6-ethoxy-2-N-(4-methylsulfonylphenyl)pyridine-2,5-diamine
CID 43261499
4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile
CID 70924880
4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile
CID 70924709

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile (CID 143926924) is 4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile is CS(=O)(=O)c1ccc(Nc2cc(N)c(C#N)c(Oc3ccccc3)n2)cc1.
What is the InChIKey of 4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile?
The InChIKey is IYAUDSGNBIYHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-27(24,25)15-9-7-13(8-10-15)22-18-11-17(21)16(12-20)19(23-18)26-14-5-3-2-4-6-14/h2-11H,1H3,(H3,21,22,23).
What are the key properties of 4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile?
4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile has a molecular weight of 380.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile is sourced from PubChem (CID 143926924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).