3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile

C11H15N3O — CID 55218453

IUPAC3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1ccncc1
InChIInChI=1S/C11H15N3O/c1-15-10-9-14(8-2-5-12)11-3-6-13-7-4-11/h3-4,6-7H,2,8-10H2,1H3
InChIKeySJGLPKJJVIGGOO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.45
Rot. Bonds6

About 3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile

3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile (PubChem CID 55218453) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile
PubChem CID55218453
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1ccncc1
InChIInChI=1S/C11H15N3O/c1-15-10-9-14(8-2-5-12)11-3-6-13-7-4-11/h3-4,6-7H,2,8-10H2,1H3
InChIKeySJGLPKJJVIGGOO-UHFFFAOYSA-N
XLogP1.45
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile (CID 55218453) is 3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile is COCCN(CCC#N)c1ccncc1.
What is the InChIKey of 3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile?
The InChIKey is SJGLPKJJVIGGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-15-10-9-14(8-2-5-12)11-3-6-13-7-4-11/h3-4,6-7H,2,8-10H2,1H3.
What are the key properties of 3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile?
3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile has a molecular weight of 205.26 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile is sourced from PubChem (CID 55218453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).