6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile

C20H17N3O3S — CID 13295735

IUPAC6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1nc(N)c(S(=O)(=O)c2ccccc2)c(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C20H17N3O3S/c1-13-8-10-14(11-9-13)17-16(12-21)20(26-2)23-19(22)18(17)27(24,25)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,23)
InChIKeyWPSKOWKMYIMNIG-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.35
Rot. Bonds4

About 6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile

6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 13295735) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID13295735
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1nc(N)c(S(=O)(=O)c2ccccc2)c(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C20H17N3O3S/c1-13-8-10-14(11-9-13)17-16(12-21)20(26-2)23-19(22)18(17)27(24,25)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,23)
InChIKeyWPSKOWKMYIMNIG-UHFFFAOYSA-N
XLogP3.35
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile
CID 13295738
2-amino-5-(benzenesulfonyl)-4,6-diphenylbenzene-1,3-dicarbonitrile
CID 10836634
2-amino-6-methoxy-4-(3-phenylphenyl)pyridine-3,5-dicarbonitrile
CID 170319410
5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine
CID 13413417
2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 2731102
6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 10641600
1,3-diamino-2-methoxy-4-(4-methylphenyl)sulfonylanthracene-9,10-dione
CID 70535648
2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
CID 6491041
2-amino-6-methyl-3-phenylquinoline-4-carbonitrile
CID 123813624
2-amino-6-methoxy-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 6491035
2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395284
5-(benzenesulfonyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 15987565

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile (CID 13295735) is 6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile is COc1nc(N)c(S(=O)(=O)c2ccccc2)c(-c2ccc(C)cc2)c1C#N.
What is the InChIKey of 6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is WPSKOWKMYIMNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-13-8-10-14(11-9-13)17-16(12-21)20(26-2)23-19(22)18(17)27(24,25)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,23).
What are the key properties of 6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 379.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 13295735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).