1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile

C15H21N3O2 — CID 82099626

IUPAC1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1ccc(C#N)c(=O)n1CCN1CCOCC1
InChIInChI=1S/C15H21N3O2/c1-12(2)14-4-3-13(11-16)15(19)18(14)6-5-17-7-9-20-10-8-17/h3-4,12H,5-10H2,1-2H3
InChIKeyDWSINTNPUQWFCT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.18
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile

1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 82099626) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID82099626
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1ccc(C#N)c(=O)n1CCN1CCOCC1
InChIInChI=1S/C15H21N3O2/c1-12(2)14-4-3-13(11-16)15(19)18(14)6-5-17-7-9-20-10-8-17/h3-4,12H,5-10H2,1-2H3
InChIKeyDWSINTNPUQWFCT-UHFFFAOYSA-N
XLogP1.18
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile (CID 82099626) is 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile is CC(C)c1ccc(C#N)c(=O)n1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is DWSINTNPUQWFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(2)14-4-3-13(11-16)15(19)18(14)6-5-17-7-9-20-10-8-17/h3-4,12H,5-10H2,1-2H3.
What are the key properties of 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile?
1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 275.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 82099626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).