3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile

C13H19N3O2 — CID 80628515

IUPAC3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1ncc(CO)cc1C
InChIInChI=1S/C13H19N3O2/c1-11-8-12(10-17)9-15-13(11)16(5-3-4-14)6-7-18-2/h8-9,17H,3,5-7,10H2,1-2H3
InChIKeyNCZCGKLLGGBJDF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.25
Rot. Bonds7

About 3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile

3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile (PubChem CID 80628515) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile
PubChem CID80628515
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1ncc(CO)cc1C
InChIInChI=1S/C13H19N3O2/c1-11-8-12(10-17)9-15-13(11)16(5-3-4-14)6-7-18-2/h8-9,17H,3,5-7,10H2,1-2H3
InChIKeyNCZCGKLLGGBJDF-UHFFFAOYSA-N
XLogP1.25
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637
[6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
CID 80629506
5-bromo-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
CID 55170952
3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
CID 63286973
3-[2-methoxyethyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80829439
3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile
CID 63286504
3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 103321662
3-[(5-amino-6-chloropyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63285179
3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285602
3-[3-amino-N-(2-methoxyethyl)-4-methylanilino]propanenitrile
CID 63285271
3-[(2-chloro-6-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63286901
3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile
CID 63286547

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile (CID 80628515) is 3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)c1ncc(CO)cc1C.
What is the InChIKey of 3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is NCZCGKLLGGBJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-11-8-12(10-17)9-15-13(11)16(5-3-4-14)6-7-18-2/h8-9,17H,3,5-7,10H2,1-2H3.
What are the key properties of 3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile?
3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 249.31 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 80628515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).