3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile

C13H15N3O2 — CID 82118256

IUPAC3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
SMILESN#CC(Cc1cccnc1)C(=O)N1CCOCC1
InChIInChI=1S/C13H15N3O2/c14-9-12(8-11-2-1-3-15-10-11)13(17)16-4-6-18-7-5-16/h1-3,10,12H,4-8H2
InChIKeyUIWJGOIYENFNIJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.62
Rot. Bonds3

About 3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile

3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile (PubChem CID 82118256) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile.

Molecular Properties

Compound Name3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
PubChem CID82118256
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
SMILESN#CC(Cc1cccnc1)C(=O)N1CCOCC1
InChIInChI=1S/C13H15N3O2/c14-9-12(8-11-2-1-3-15-10-11)13(17)16-4-6-18-7-5-16/h1-3,10,12H,4-8H2
InChIKeyUIWJGOIYENFNIJ-UHFFFAOYSA-N
XLogP0.62
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperazin-1-yl)-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
CID 82121004
2-(4-fluorophenyl)-1-morpholin-4-yl-3-pyridin-3-ylpropan-1-one
CID 110296410
3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile
CID 82119303
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110624572
2-benzyl-3-[2-(hydroxymethyl)morpholin-4-yl]-3-oxopropanenitrile
CID 81203125
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
CID 863695
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 84592394
1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110421746
2-[(3-methylphenyl)methyl]-3-oxo-3-piperidin-1-ylpropanenitrile
CID 82120552
2-[(4-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 82117724

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile?
The IUPAC name of 3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile (CID 82118256) is 3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile.
What is the SMILES notation for 3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile?
The canonical SMILES for 3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile is N#CC(Cc1cccnc1)C(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile?
The InChIKey is UIWJGOIYENFNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-12(8-11-2-1-3-15-10-11)13(17)16-4-6-18-7-5-16/h1-3,10,12H,4-8H2.
What are the key properties of 3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile?
3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile has a molecular weight of 245.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile is sourced from PubChem (CID 82118256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).