5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile

C13H17N3O — CID 86785465

IUPAC5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile
SMILESCC(Nc1ccc(C#N)nc1)C1CCCOC1
InChIInChI=1S/C13H17N3O/c1-10(11-3-2-6-17-9-11)16-13-5-4-12(7-14)15-8-13/h4-5,8,10-11,16H,2-3,6,9H2,1H3
InChIKeyFCQNMCSPQGUPHM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.18
Rot. Bonds3

About 5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile

5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 86785465) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID86785465
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile
SMILESCC(Nc1ccc(C#N)nc1)C1CCCOC1
InChIInChI=1S/C13H17N3O/c1-10(11-3-2-6-17-9-11)16-13-5-4-12(7-14)15-8-13/h4-5,8,10-11,16H,2-3,6,9H2,1H3
InChIKeyFCQNMCSPQGUPHM-UHFFFAOYSA-N
XLogP2.18
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile (CID 86785465) is 5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile is CC(Nc1ccc(C#N)nc1)C1CCCOC1.
What is the InChIKey of 5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is FCQNMCSPQGUPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(11-3-2-6-17-9-11)16-13-5-4-12(7-14)15-8-13/h4-5,8,10-11,16H,2-3,6,9H2,1H3.
What are the key properties of 5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile?
5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxan-3-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 86785465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).