3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile

C12H19N5O — CID 106141918

IUPAC3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile
SMILESCN(C)CC(C)(O)CNc1nccc(C#N)c1N
InChIInChI=1S/C12H19N5O/c1-12(18,8-17(2)3)7-16-11-10(14)9(6-13)4-5-15-11/h4-5,18H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyNOEYMTXODZVDID-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.26
Rot. Bonds5

About 3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile

3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile (PubChem CID 106141918) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile
PubChem CID106141918
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile
SMILESCN(C)CC(C)(O)CNc1nccc(C#N)c1N
InChIInChI=1S/C12H19N5O/c1-12(18,8-17(2)3)7-16-11-10(14)9(6-13)4-5-15-11/h4-5,18H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyNOEYMTXODZVDID-UHFFFAOYSA-N
XLogP0.26
TPSA98.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carbonitrile
CID 114163186
3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile
CID 113320120
3-amino-2-[4-(dimethylamino)butylamino]pyridine-4-carbonitrile
CID 82817310
3-amino-2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-4-carbonitrile
CID 82814232
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile
CID 103878178
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile
CID 82817077
2-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzonitrile
CID 114149087
2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid
CID 82817313
1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 103837833
1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141779
3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile
CID 106290624

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile (CID 106141918) is 3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile is CN(C)CC(C)(O)CNc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile?
The InChIKey is NOEYMTXODZVDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-12(18,8-17(2)3)7-16-11-10(14)9(6-13)4-5-15-11/h4-5,18H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile?
3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 106141918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).