3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile

C12H17N3O — CID 114287980

IUPAC3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
SMILESCN(C)C(C)(C)COc1cnccc1C#N
InChIInChI=1S/C12H17N3O/c1-12(2,15(3)4)9-16-11-8-14-6-5-10(11)7-13/h5-6,8H,9H2,1-4H3
InChIKeySXAZXVADQWUBND-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.67
Rot. Bonds4

About 3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile

3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile (PubChem CID 114287980) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
PubChem CID114287980
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
SMILESCN(C)C(C)(C)COc1cnccc1C#N
InChIInChI=1S/C12H17N3O/c1-12(2,15(3)4)9-16-11-8-14-6-5-10(11)7-13/h5-6,8H,9H2,1-4H3
InChIKeySXAZXVADQWUBND-UHFFFAOYSA-N
XLogP1.67
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile (CID 114287980) is 3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile is CN(C)C(C)(C)COc1cnccc1C#N.
What is the InChIKey of 3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile?
The InChIKey is SXAZXVADQWUBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,15(3)4)9-16-11-8-14-6-5-10(11)7-13/h5-6,8H,9H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile?
3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 114287980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).