6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile

C13H20N4 — CID 24699115

IUPAC6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile
SMILESCN(C)CC(C)(C)CNc1ccc(C#N)cn1
InChIInChI=1S/C13H20N4/c1-13(2,10-17(3)4)9-16-12-6-5-11(7-14)8-15-12/h5-6,8H,9-10H2,1-4H3,(H,15,16)
InChIKeyHQKAENZDVXIQIJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.95
Rot. Bonds5

About 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile

6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile (PubChem CID 24699115) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile
PubChem CID24699115
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile
SMILESCN(C)CC(C)(C)CNc1ccc(C#N)cn1
InChIInChI=1S/C13H20N4/c1-13(2,10-17(3)4)9-16-12-6-5-11(7-14)8-15-12/h5-6,8H,9-10H2,1-4H3,(H,15,16)
InChIKeyHQKAENZDVXIQIJ-UHFFFAOYSA-N
XLogP1.95
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile (CID 24699115) is 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile is CN(C)CC(C)(C)CNc1ccc(C#N)cn1.
What is the InChIKey of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile?
The InChIKey is HQKAENZDVXIQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-13(2,10-17(3)4)9-16-12-6-5-11(7-14)8-15-12/h5-6,8H,9-10H2,1-4H3,(H,15,16).
What are the key properties of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile?
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 24699115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).