3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile

C12H17N3O — CID 114287930

IUPAC3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile
SMILESCCN(CC)CCOc1cnccc1C#N
InChIInChI=1S/C12H17N3O/c1-3-15(4-2)7-8-16-12-10-14-6-5-11(12)9-13/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyPKFKXABROMPXMU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.67
Rot. Bonds6

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

3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile (PubChem CID 114287930) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile
PubChem CID114287930
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile
SMILESCCN(CC)CCOc1cnccc1C#N
InChIInChI=1S/C12H17N3O/c1-3-15(4-2)7-8-16-12-10-14-6-5-11(12)9-13/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyPKFKXABROMPXMU-UHFFFAOYSA-N
XLogP1.67
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

Ispronicline
CID 9824145
3-Methoxypyridine
CID 23719
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
TC-2559
CID 9823180
4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
3-[[(2S)-1-Methyl-2-azetidinyl]methoxy]pyridine
CID 10654912
3-[(1-Methylpyrrolidin-2-yl)methoxy]pyridine
CID 21851988
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-propyl-pyridine
CID 44318740
3-Ethyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 44318995

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile (CID 114287930) is 3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile is CCN(CC)CCOc1cnccc1C#N.
What is the InChIKey of 3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile?
The InChIKey is PKFKXABROMPXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-15(4-2)7-8-16-12-10-14-6-5-11(12)9-13/h5-6,10H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile?
3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 114287930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).