3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile

C14H17N3O3 — CID 146567627

IUPAC3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile
SMILESN#CCCc1ncccc1C(=O)N1CCOC[C@H]1CO
InChIInChI=1S/C14H17N3O3/c15-5-1-4-13-12(3-2-6-16-13)14(19)17-7-8-20-10-11(17)9-18/h2-3,6,11,18H,1,4,7-10H2/t11-/m1/s1
InChIKeyKAHFMJSNWCETBF-LLVKDONJSA-N
MW275.31 g/mol
LogP0.37
Rot. Bonds4

About 3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile

3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile (PubChem CID 146567627) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile.

Molecular Properties

Compound Name3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile
PubChem CID146567627
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile
SMILESN#CCCc1ncccc1C(=O)N1CCOC[C@H]1CO
InChIInChI=1S/C14H17N3O3/c15-5-1-4-13-12(3-2-6-16-13)14(19)17-7-8-20-10-11(17)9-18/h2-3,6,11,18H,1,4,7-10H2/t11-/m1/s1
InChIKeyKAHFMJSNWCETBF-LLVKDONJSA-N
XLogP0.37
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile
CID 146567738
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 152643148
[2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 167530878
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde;sulfuric acid
CID 175505949
3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid
CID 166772263
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107524854
ethanesulfonic acid;2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 175505929
4-[(3S)-3-(hydroxymethyl)morpholine-4-carbonyl]benzonitrile
CID 97040212
2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83842677
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile?
The IUPAC name of 3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile (CID 146567627) is 3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile.
What is the SMILES notation for 3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile?
The canonical SMILES for 3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile is N#CCCc1ncccc1C(=O)N1CCOC[C@H]1CO.
What is the InChIKey of 3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile?
The InChIKey is KAHFMJSNWCETBF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-5-1-4-13-12(3-2-6-16-13)14(19)17-7-8-20-10-11(17)9-18/h2-3,6,11,18H,1,4,7-10H2/t11-/m1/s1.
What are the key properties of 3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile?
3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile has a molecular weight of 275.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile is sourced from PubChem (CID 146567627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).