6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile

C14H17N3O2 — CID 63719120

IUPAC6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile
SMILESCCC1COC(C)CN1C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H17N3O2/c1-3-12-9-19-10(2)8-17(12)14(18)13-5-4-11(6-15)7-16-13/h4-5,7,10,12H,3,8-9H2,1-2H3
InChIKeyPBEZWJWRIPQAJD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds2

About 6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile

6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile (PubChem CID 63719120) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile
PubChem CID63719120
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile
SMILESCCC1COC(C)CN1C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H17N3O2/c1-3-12-9-19-10(2)8-17(12)14(18)13-5-4-11(6-15)7-16-13/h4-5,7,10,12H,3,8-9H2,1-2H3
InChIKeyPBEZWJWRIPQAJD-UHFFFAOYSA-N
XLogP1.59
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile (CID 63719120) is 6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile is CCC1COC(C)CN1C(=O)c1ccc(C#N)cn1.
What is the InChIKey of 6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile?
The InChIKey is PBEZWJWRIPQAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-12-9-19-10(2)8-17(12)14(18)13-5-4-11(6-15)7-16-13/h4-5,7,10,12H,3,8-9H2,1-2H3.
What are the key properties of 6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile?
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 63719120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).