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

C12H17N3O — CID 114942452

IUPAC3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
SMILESCCOC(C)(C)CNc1cnccc1C#N
InChIInChI=1S/C12H17N3O/c1-4-16-12(2,3)9-15-11-8-14-6-5-10(11)7-13/h5-6,8,15H,4,9H2,1-3H3
InChIKeyAXKYMCBVYQGEKN-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.18
Rot. Bonds5

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

3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile (PubChem CID 114942452) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
PubChem CID114942452
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
SMILESCCOC(C)(C)CNc1cnccc1C#N
InChIInChI=1S/C12H17N3O/c1-4-16-12(2,3)9-15-11-8-14-6-5-10(11)7-13/h5-6,8,15H,4,9H2,1-3H3
InChIKeyAXKYMCBVYQGEKN-UHFFFAOYSA-N
XLogP2.18
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
CID 115360433
4-chloro-2-[(2-ethoxy-2-methylpropyl)amino]benzonitrile
CID 114942440
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbothioamide
CID 114942551
3-(3-propoxypropylamino)pyridine-4-carbonitrile
CID 82942075
N-(2-ethoxy-2-methylpropyl)-8-nitroisoquinolin-5-amine
CID 114942880
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587
3-(2-hydroxypentylamino)pyridine-4-carbonitrile
CID 115883782
3-(furan-3-ylmethylamino)pyridine-4-carbonitrile
CID 115883748
N-(2-ethoxy-2-methylpropyl)pyrazin-2-amine
CID 114942789
3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
CID 113381771
3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile
CID 113337626
3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
CID 114287626

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile (CID 114942452) is 3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile is CCOC(C)(C)CNc1cnccc1C#N.
What is the InChIKey of 3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile?
The InChIKey is AXKYMCBVYQGEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-16-12(2,3)9-15-11-8-14-6-5-10(11)7-13/h5-6,8,15H,4,9H2,1-3H3.
What are the key properties of 3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile?
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 114942452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).