6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile

C21H17ClN4O — CID 46839287

IUPAC6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)cc(-c2ccc(Cl)cc2)nc1-c1ccccn1
InChIInChI=1S/C21H17ClN4O/c22-16-6-4-15(5-7-16)19-13-20(26-9-11-27-12-10-26)17(14-23)21(25-19)18-3-1-2-8-24-18/h1-8,13H,9-12H2
InChIKeyJZKUTWDULUDMEB-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.17
Rot. Bonds3

About 6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile

6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile (PubChem CID 46839287) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile
PubChem CID46839287
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)cc(-c2ccc(Cl)cc2)nc1-c1ccccn1
InChIInChI=1S/C21H17ClN4O/c22-16-6-4-15(5-7-16)19-13-20(26-9-11-27-12-10-26)17(14-23)21(25-19)18-3-1-2-8-24-18/h1-8,13H,9-12H2
InChIKeyJZKUTWDULUDMEB-UHFFFAOYSA-N
XLogP4.17
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile (CID 46839287) is 6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile is N#Cc1c(N2CCOCC2)cc(-c2ccc(Cl)cc2)nc1-c1ccccn1.
What is the InChIKey of 6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile?
The InChIKey is JZKUTWDULUDMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-16-6-4-15(5-7-16)19-13-20(26-9-11-27-12-10-26)17(14-23)21(25-19)18-3-1-2-8-24-18/h1-8,13H,9-12H2.
What are the key properties of 6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile?
6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile has a molecular weight of 376.85 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-morpholin-4-yl-2-pyridin-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 46839287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).