3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile

C11H15N3O — CID 83131425

IUPAC3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile
SMILESCC(O)c1ccc(N(C)CCC#N)cn1
InChIInChI=1S/C11H15N3O/c1-9(15)11-5-4-10(8-13-11)14(2)7-3-6-12/h4-5,8-9,15H,3,7H2,1-2H3
InChIKeyRGWYEUBGHRIAQT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.48
Rot. Bonds4

About 3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile

3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile (PubChem CID 83131425) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile
PubChem CID83131425
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile
SMILESCC(O)c1ccc(N(C)CCC#N)cn1
InChIInChI=1S/C11H15N3O/c1-9(15)11-5-4-10(8-13-11)14(2)7-3-6-12/h4-5,8-9,15H,3,7H2,1-2H3
InChIKeyRGWYEUBGHRIAQT-UHFFFAOYSA-N
XLogP1.48
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]propanenitrile
CID 112585242
3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
CID 83122548
2-[cyanomethyl-[6-(1-hydroxyethyl)-3-pyridinyl]amino]acetonitrile
CID 83132280
(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol
CID 83132268
(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132161
3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile
CID 112584090
(1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol
CID 104869711
(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
(1R)-1-[5-[methyl(prop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83132695
(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
CID 83132028
(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132456
(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131523

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile?
The IUPAC name of 3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile (CID 83131425) is 3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile.
What is the SMILES notation for 3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile?
The canonical SMILES for 3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile is CC(O)c1ccc(N(C)CCC#N)cn1.
What is the InChIKey of 3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile?
The InChIKey is RGWYEUBGHRIAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(15)11-5-4-10(8-13-11)14(2)7-3-6-12/h4-5,8-9,15H,3,7H2,1-2H3.
What are the key properties of 3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile?
3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile has a molecular weight of 205.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile is sourced from PubChem (CID 83131425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).