3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile

C11H16N4O2S — CID 82814232

IUPAC3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile
SMILESCC(C)(CNc1nccc(C#N)c1N)S(C)(=O)=O
InChIInChI=1S/C11H16N4O2S/c1-11(2,18(3,16)17)7-15-10-9(13)8(6-12)4-5-14-10/h4-5H,7,13H2,1-3H3,(H,14,15)
InChIKeyITGGKCGUDPTWRX-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.77
Rot. Bonds4

About 3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile

3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile (PubChem CID 82814232) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile
PubChem CID82814232
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile
SMILESCC(C)(CNc1nccc(C#N)c1N)S(C)(=O)=O
InChIInChI=1S/C11H16N4O2S/c1-11(2,18(3,16)17)7-15-10-9(13)8(6-12)4-5-14-10/h4-5H,7,13H2,1-3H3,(H,14,15)
InChIKeyITGGKCGUDPTWRX-UHFFFAOYSA-N
XLogP0.77
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 79563043
2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid
CID 82817313
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carbonitrile
CID 114163186
3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile
CID 106141918
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
CID 130503947
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
CID 82816731
tert-butyl N-[3-[(3-amino-4-cyano-2-pyridinyl)amino]propyl]carbamate
CID 114517926
3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile
CID 82817077
3-amino-2-[4-(dimethylamino)butylamino]pyridine-4-carbonitrile
CID 82817310
3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile
CID 82817159

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile (CID 82814232) is 3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile is CC(C)(CNc1nccc(C#N)c1N)S(C)(=O)=O.
What is the InChIKey of 3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile?
The InChIKey is ITGGKCGUDPTWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-11(2,18(3,16)17)7-15-10-9(13)8(6-12)4-5-14-10/h4-5H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile?
3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile has a molecular weight of 268.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 82814232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).