3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile

C13H19N3O — CID 114055969

IUPAC3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)c1ncccc1[C@@H](C)O
InChIInChI=1S/C13H19N3O/c1-10(2)16(9-5-7-14)13-12(11(3)17)6-4-8-15-13/h4,6,8,10-11,17H,5,9H2,1-3H3/t11-/m1/s1
InChIKeyLVGNZPFPVIESML-LLVKDONJSA-N
MW233.31 g/mol
LogP2.26
Rot. Bonds5

About 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile

3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile (PubChem CID 114055969) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile
PubChem CID114055969
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)c1ncccc1[C@@H](C)O
InChIInChI=1S/C13H19N3O/c1-10(2)16(9-5-7-14)13-12(11(3)17)6-4-8-15-13/h4,6,8,10-11,17H,5,9H2,1-3H3/t11-/m1/s1
InChIKeyLVGNZPFPVIESML-LLVKDONJSA-N
XLogP2.26
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963
1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
CID 114055973
(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol
CID 114056004
3-[ethyl-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]amino]-2-methylpropanenitrile
CID 114055957
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
CID 114055796
3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile
CID 103385215
(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
CID 114243207
3-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(propan-2-yl)amino]propanenitrile
CID 106536648
(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
CID 114056124
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
CID 114056274
2-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 62733627
(1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol
CID 114056037

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile (CID 114055969) is 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile is CC(C)N(CCC#N)c1ncccc1[C@@H](C)O.
What is the InChIKey of 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile?
The InChIKey is LVGNZPFPVIESML-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(2)16(9-5-7-14)13-12(11(3)17)6-4-8-15-13/h4,6,8,10-11,17H,5,9H2,1-3H3/t11-/m1/s1.
What are the key properties of 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile?
3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile has a molecular weight of 233.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 114055969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).