5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile

C15H19N3O2 — CID 2769098

IUPAC5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(N2CC(C)OC(C)C2)nc1C
InChIInChI=1S/C15H19N3O2/c1-9-7-18(8-10(2)20-9)15-13(6-16)5-14(12(4)19)11(3)17-15/h5,9-10H,7-8H2,1-4H3
InChIKeyVXNPUBDUCLMYPK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.08
Rot. Bonds2

About 5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile

5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile (PubChem CID 2769098) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile
PubChem CID2769098
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(N2CC(C)OC(C)C2)nc1C
InChIInChI=1S/C15H19N3O2/c1-9-7-18(8-10(2)20-9)15-13(6-16)5-14(12(4)19)11(3)17-15/h5,9-10H,7-8H2,1-4H3
InChIKeyVXNPUBDUCLMYPK-UHFFFAOYSA-N
XLogP2.08
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile (CID 2769098) is 5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile is CC(=O)c1cc(C#N)c(N2CC(C)OC(C)C2)nc1C.
What is the InChIKey of 5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile?
The InChIKey is VXNPUBDUCLMYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-7-18(8-10(2)20-9)15-13(6-16)5-14(12(4)19)11(3)17-15/h5,9-10H,7-8H2,1-4H3.
What are the key properties of 5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile?
5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(2,6-dimethylmorpholin-4-yl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 2769098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).