2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile

C13H18N4O — CID 133386451

IUPAC2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncccc1C#N)C1CN(C)CCO1
InChIInChI=1S/C13H18N4O/c1-10(12-9-17(2)6-7-18-12)16-13-11(8-14)4-3-5-15-13/h3-5,10,12H,6-7,9H2,1-2H3,(H,15,16)
InChIKeyCMYLBOKKIYLDMV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.08
Rot. Bonds3

About 2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile

2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 133386451) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID133386451
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncccc1C#N)C1CN(C)CCO1
InChIInChI=1S/C13H18N4O/c1-10(12-9-17(2)6-7-18-12)16-13-11(8-14)4-3-5-15-13/h3-5,10,12H,6-7,9H2,1-2H3,(H,15,16)
InChIKeyCMYLBOKKIYLDMV-UHFFFAOYSA-N
XLogP1.08
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile
CID 133386483
6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133386452
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline
CID 133386498
2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile
CID 22110783
3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
CID 79093449
N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133386569
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 133386447
2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372296
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133386426
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133386488
3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 79071008
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 31585319

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile (CID 133386451) is 2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile is CC(Nc1ncccc1C#N)C1CN(C)CCO1.
What is the InChIKey of 2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is CMYLBOKKIYLDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(12-9-17(2)6-7-18-12)16-13-11(8-14)4-3-5-15-13/h3-5,10,12H,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile?
2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133386451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).