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

C13H19N3O — CID 157021835

IUPAC6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile
SMILESCN(C)CC(C)(C)COc1ccc(C#N)cn1
InChIInChI=1S/C13H19N3O/c1-13(2,9-16(3)4)10-17-12-6-5-11(7-14)8-15-12/h5-6,8H,9-10H2,1-4H3
InChIKeyMVPDXSRQOVUJAS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.92
Rot. Bonds5

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

6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile (PubChem CID 157021835) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile
PubChem CID157021835
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile
SMILESCN(C)CC(C)(C)COc1ccc(C#N)cn1
InChIInChI=1S/C13H19N3O/c1-13(2,9-16(3)4)10-17-12-6-5-11(7-14)8-15-12/h5-6,8H,9-10H2,1-4H3
InChIKeyMVPDXSRQOVUJAS-UHFFFAOYSA-N
XLogP1.92
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile
CID 24699115
6-(1-chloroethoxy)pyridine-3-carbonitrile
CID 143861415
2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane
CID 143422628
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
6-but-2-enoxypyridine-3-carbonitrile
CID 76938235
6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 82788068
6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 56815275
6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
CID 150538263
6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
CID 62348286
6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile
CID 103177589
6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile
CID 82411113

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile (CID 157021835) is 6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile is CN(C)CC(C)(C)COc1ccc(C#N)cn1.
What is the InChIKey of 6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile?
The InChIKey is MVPDXSRQOVUJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,9-16(3)4)10-17-12-6-5-11(7-14)8-15-12/h5-6,8H,9-10H2,1-4H3.
What are the key properties of 6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile?
6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 157021835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).