3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile

C13H17N3O — CID 113362602

IUPAC3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1NCCC1CCCCO1
InChIInChI=1S/C13H17N3O/c14-9-11-4-6-15-10-13(11)16-7-5-12-3-1-2-8-17-12/h4,6,10,12,16H,1-3,5,7-8H2
InChIKeyGQWFXYFWCXZLDH-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.32
Rot. Bonds4

About 3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile

3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile (PubChem CID 113362602) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
PubChem CID113362602
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1NCCC1CCCCO1
InChIInChI=1S/C13H17N3O/c14-9-11-4-6-15-10-13(11)16-7-5-12-3-1-2-8-17-12/h4,6,10,12,16H,1-3,5,7-8H2
InChIKeyGQWFXYFWCXZLDH-UHFFFAOYSA-N
XLogP2.32
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 114135773
3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
CID 114287626
4-acetyl-2-[2-(oxolan-2-yl)ethylamino]benzonitrile
CID 133466422
4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244837
3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 103888654
5-nitro-2-[2-(oxolan-2-yl)ethylamino]benzonitrile
CID 51076332
3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80510609
3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107418667
2-methyl-4-[2-(oxolan-2-yl)ethylamino]benzonitrile
CID 81273129
3-nitro-4-[2-(oxolan-2-yl)ethylamino]benzonitrile
CID 51076335
3-nitro-4-[2-[(2S)-oxolan-2-yl]ethylamino]benzonitrile
CID 31656522
3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile (CID 113362602) is 3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile is N#Cc1ccncc1NCCC1CCCCO1.
What is the InChIKey of 3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is GQWFXYFWCXZLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-9-11-4-6-15-10-13(11)16-7-5-12-3-1-2-8-17-12/h4,6,10,12,16H,1-3,5,7-8H2.
What are the key properties of 3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile?
3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 113362602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).