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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Related Compounds

6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile
CID 157021835
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile
CID 114765679
6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile
CID 114384453
2-[[(5-cyano-2-pyridinyl)amino]methyl]-2-ethylbutanoic acid
CID 113308560
6-[[(2S)-2-hydroxy-3,3-dimethylbutyl]amino]pyridine-3-carbonitrile
CID 95623512
tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate
CID 71985351
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
6-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873499
6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid
CID 65284946
N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
CID 63687678
6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile
CID 115628479
2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 30041228

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).