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

C13H18N4O — CID 114135773

IUPAC3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCC2CCCCO2)c1N
InChIInChI=1S/C13H18N4O/c14-9-10-4-6-16-13(12(10)15)17-7-5-11-3-1-2-8-18-11/h4,6,11H,1-3,5,7-8,15H2,(H,16,17)
InChIKeyFYKKETHOMVNBEI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.91
Rot. Bonds4

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

3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile (PubChem CID 114135773) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
PubChem CID114135773
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCC2CCCCO2)c1N
InChIInChI=1S/C13H18N4O/c14-9-10-4-6-16-13(12(10)15)17-7-5-11-3-1-2-8-18-11/h4,6,11H,1-3,5,7-8,15H2,(H,16,17)
InChIKeyFYKKETHOMVNBEI-UHFFFAOYSA-N
XLogP1.91
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82816968
3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile
CID 82817445
3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 113362602
3-amino-2-(cyclopentylamino)pyridine-4-carbonitrile
CID 82817355
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 114097597
3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80510609
3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile
CID 82817159
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
CID 130503947
3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114399414
3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 82813785

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile (CID 114135773) is 3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCCC2CCCCO2)c1N.
What is the InChIKey of 3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is FYKKETHOMVNBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-9-10-4-6-16-13(12(10)15)17-7-5-11-3-1-2-8-18-11/h4,6,11H,1-3,5,7-8,15H2,(H,16,17).
What are the key properties of 3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile?
3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 114135773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).