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

C14H13N3O3S — CID 13295738

IUPAC6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile
SMILESCOc1nc(N)c(S(=O)(=O)c2ccccc2)c(C)c1C#N
InChIInChI=1S/C14H13N3O3S/c1-9-11(8-15)14(20-2)17-13(16)12(9)21(18,19)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,16,17)
InChIKeyQIDJRYDIMRBZPJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.69
Rot. Bonds3

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

6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile (PubChem CID 13295738) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile
PubChem CID13295738
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile
SMILESCOc1nc(N)c(S(=O)(=O)c2ccccc2)c(C)c1C#N
InChIInChI=1S/C14H13N3O3S/c1-9-11(8-15)14(20-2)17-13(16)12(9)21(18,19)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,16,17)
InChIKeyQIDJRYDIMRBZPJ-UHFFFAOYSA-N
XLogP1.69
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 13295735
5-(benzenesulfonyl)-2-methoxy-6-phenylpyrimidin-4-amine
CID 13413417
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)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 15987565
2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
CID 6491041
(4-amino-5-cyano-6-methoxy-2-pyridinyl) trifluoromethanesulfonate
CID 89105593
3-(benzenesulfonyl)-2-chloro-6-methoxybenzonitrile
CID 555217
4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile
CID 143926924
2-amino-6-methoxy-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 6491035
5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide
CID 134910072
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile (CID 13295738) is 6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile is COc1nc(N)c(S(=O)(=O)c2ccccc2)c(C)c1C#N.
What is the InChIKey of 6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile?
The InChIKey is QIDJRYDIMRBZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9-11(8-15)14(20-2)17-13(16)12(9)21(18,19)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,16,17).
What are the key properties of 6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile?
6-amino-5-(benzenesulfonyl)-2-methoxy-4-methylpyridine-3-carbonitrile has a molecular weight of 303.34 g/mol, XLogP of 1.69, 3 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-methylpyridine-3-carbonitrile is sourced from PubChem (CID 13295738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).