6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile

C13H18N4O — CID 133386452

IUPAC6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)cn1)C1CN(C)CCO1
InChIInChI=1S/C13H18N4O/c1-10(12-9-17(2)5-6-18-12)16-13-4-3-11(7-14)8-15-13/h3-4,8,10,12H,5-6,9H2,1-2H3,(H,15,16)
InChIKeyRHZBRMPSZDOALV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.08
Rot. Bonds3

About 6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile

6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 133386452) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID133386452
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)cn1)C1CN(C)CCO1
InChIInChI=1S/C13H18N4O/c1-10(12-9-17(2)5-6-18-12)16-13-4-3-11(7-14)8-15-13/h3-4,8,10,12H,5-6,9H2,1-2H3,(H,15,16)
InChIKeyRHZBRMPSZDOALV-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

6-[[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]amino]pyridine-3-carbonitrile
CID 97216224
N-[1-(4-methylmorpholin-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133386475
2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133386451
6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile
CID 133364280
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile
CID 115315787
5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile
CID 133386483
5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile
CID 124882189
6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 63896552
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133386426
6-[[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
CID 154756720
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133386569

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile (CID 133386452) is 6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile is CC(Nc1ccc(C#N)cn1)C1CN(C)CCO1.
What is the InChIKey of 6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is RHZBRMPSZDOALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(12-9-17(2)5-6-18-12)16-13-4-3-11(7-14)8-15-13/h3-4,8,10,12H,5-6,9H2,1-2H3,(H,15,16).
What are the key properties of 6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile?
6-[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 6-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133386452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).