6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile

C17H17N3O — CID 133379476

IUPAC6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile
SMILESCC1(c2ccccc2)CN(c2ccc(C#N)cn2)CCO1
InChIInChI=1S/C17H17N3O/c1-17(15-5-3-2-4-6-15)13-20(9-10-21-17)16-8-7-14(11-18)12-19-16/h2-8,12H,9-10,13H2,1H3
InChIKeyYDHPCOCLLUMHLO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.71
Rot. Bonds2

About 6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile

6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile (PubChem CID 133379476) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile
PubChem CID133379476
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile
SMILESCC1(c2ccccc2)CN(c2ccc(C#N)cn2)CCO1
InChIInChI=1S/C17H17N3O/c1-17(15-5-3-2-4-6-15)13-20(9-10-21-17)16-8-7-14(11-18)12-19-16/h2-8,12H,9-10,13H2,1H3
InChIKeyYDHPCOCLLUMHLO-UHFFFAOYSA-N
XLogP2.71
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile
CID 133491418
2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile
CID 166196558
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-2-carbonitrile
CID 133379490
6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile
CID 133413419
2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133379583
4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine
CID 133379561
2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
CID 133420103
2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine
CID 133379685
4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile
CID 133379557
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine
CID 133379484
4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine
CID 133379648
6-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carboxamide
CID 133379493

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile (CID 133379476) is 6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile is CC1(c2ccccc2)CN(c2ccc(C#N)cn2)CCO1.
What is the InChIKey of 6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile?
The InChIKey is YDHPCOCLLUMHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-17(15-5-3-2-4-6-15)13-20(9-10-21-17)16-8-7-14(11-18)12-19-16/h2-8,12H,9-10,13H2,1H3.
What are the key properties of 6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile?
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile has a molecular weight of 279.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 133379476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).