4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile

C14H19N3O2 — CID 50888834

IUPAC4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(CCN2CCOCC2)c(=O)c1C#N
InChIInChI=1S/C14H19N3O2/c1-11-9-12(2)17(14(18)13(11)10-15)4-3-16-5-7-19-8-6-16/h9H,3-8H2,1-2H3
InChIKeyHPEXJBKKXFVWPH-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.67
Rot. Bonds3

About 4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile

4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 50888834) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
PubChem CID50888834
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(CCN2CCOCC2)c(=O)c1C#N
InChIInChI=1S/C14H19N3O2/c1-11-9-12(2)17(14(18)13(11)10-15)4-3-16-5-7-19-8-6-16/h9H,3-8H2,1-2H3
InChIKeyHPEXJBKKXFVWPH-UHFFFAOYSA-N
XLogP0.67
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile (CID 50888834) is 4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(CCN2CCOCC2)c(=O)c1C#N.
What is the InChIKey of 4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is HPEXJBKKXFVWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-9-12(2)17(14(18)13(11)10-15)4-3-16-5-7-19-8-6-16/h9H,3-8H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?
4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 50888834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).