5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile

C13H18N4O — CID 114115069

IUPAC5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncc(N)cc1C#N)C1CCOCC1
InChIInChI=1S/C13H18N4O/c1-9(10-2-4-18-5-3-10)17-13-11(7-14)6-12(15)8-16-13/h6,8-10H,2-5,15H2,1H3,(H,16,17)
InChIKeyYGVSPTAORKKKBD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.76
Rot. Bonds3

About 5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile

5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 114115069) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID114115069
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncc(N)cc1C#N)C1CCOCC1
InChIInChI=1S/C13H18N4O/c1-9(10-2-4-18-5-3-10)17-13-11(7-14)6-12(15)8-16-13/h6,8-10H,2-5,15H2,1H3,(H,16,17)
InChIKeyYGVSPTAORKKKBD-UHFFFAOYSA-N
XLogP1.76
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile (CID 114115069) is 5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile is CC(Nc1ncc(N)cc1C#N)C1CCOCC1.
What is the InChIKey of 5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is YGVSPTAORKKKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(10-2-4-18-5-3-10)17-13-11(7-14)6-12(15)8-16-13/h6,8-10H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile?
5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 114115069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).