4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile

C12H15N3O — CID 698057

IUPAC4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C12H15N3O/c1-9-7-10(2)14-12(11(9)8-13)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3
InChIKeyLUTZBWBXBMVIOV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.41
Rot. Bonds1

About 4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile

4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile (PubChem CID 698057) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile
PubChem CID698057
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C12H15N3O/c1-9-7-10(2)14-12(11(9)8-13)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3
InChIKeyLUTZBWBXBMVIOV-UHFFFAOYSA-N
XLogP1.41
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile (CID 698057) is 4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCOCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile?
The InChIKey is LUTZBWBXBMVIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-7-10(2)14-12(11(9)8-13)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile?
4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 698057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).